(NZ)-N-[[3-ethoxy-4-[3-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]prop-2-ynoxy]phenyl]methylidene]hydroxylamine

Systemtic Name: (NZ)-N-[[3-ethoxy-4-[3-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]prop-2-ynoxy]phenyl]methylidene]hydroxylamine Openeye Name: (1Z)-3-ethoxy-4-[3-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]prop-2-ynoxy]benzaldehyde oxime CAS Name: (1Z)-3-ethoxy-4-[3-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]prop-2-ynoxy]benzaldehyde oxime IUPAC Name: (NZ)-N-[[3-ethoxy-4-[3-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]prop-2-ynoxy]phenyl]methylidene]hydroxylamine Traditional Name: (1Z)-3-ethoxy-4-[3-[(5S)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol[4,5-g]isoquinolin-6-ium-5-yl]prop-2-ynoxy]benzaldoxime Formula: C24H27N2O6+ MolecularWeight: 439.48098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NO)OCC#CC2C3=C(C4=C(C=C3CC[NH+]2C)OCO4)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N\O)OCC#C[C@H]2C3=C(C4=C(C=C3CC[NH+]2C)OCO4)OC

InChI

InChI=1S/C24H26N2O6/c1-4-29-20-12-16(14-25-27)7-8-19(20)30-11-5-6-18-22-17(9-10-26(18)2)13-21-23(24(22)28-3)32-15-31-21/h7-8,12-14,18,27H,4,9-11,15H2,1-3H3/p+1/b25-14-/t18-/m0/s1