N-[[(1S)-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]cyclopentanecarboxamide

Systemtic Name: N-[[(1S)-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]cyclopentanecarboxamide Openeye Name: N-[[(1S)-2-allyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]cyclopentanecarboxamide CAS Name: N-[[(1S)-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]cyclopentanecarboxamide IUPAC Name: N-[[(1S)-6,7-dimethoxy-2-prop-2-enyl-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]cyclopentanecarboxamide Traditional Name: N-[[(1S)-2-allyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]methyl]cyclopentanecarboxamide Formula: C21H31N2O3+ MolecularWeight: 359.48244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC=C)CNC(=O)C3CCCC3)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC=C)CNC(=O)C3CCCC3)OC

InChI

InChI=1S/C21H30N2O3/c1-4-10-23-11-9-16-12-19(25-2)20(26-3)13-17(16)18(23)14-22-21(24)15-7-5-6-8-15/h4,12-13,15,18H,1,5-11,14H2,2-3H3,(H,22,24)/p+1/t18-/m1/s1