[4-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(2-ethoxy-2-oxidanylidene-ethyl)-methyl-azanium

Systemtic Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-oxidanyl-propoxy]-3-methoxy-phenyl]methyl-(2-ethoxy-2-oxidanylidene-ethyl)-methyl-azanium Openeye Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-phenyl]methyl-(2-ethoxy-2-oxo-ethyl)-methyl-ammonium CAS Name: [4-[(2R)-3-(1-azocan-1-iumyl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-ethoxy-2-oxoethyl)-methylammonium IUPAC Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl]methyl-(2-ethoxy-2-oxoethyl)-methylazanium Traditional Name: [4-[(2R)-3-(azocan-1-ium-1-yl)-2-hydroxy-propoxy]-3-methoxy-benzyl]-(2-ethoxy-2-keto-ethyl)-methyl-ammonium Formula: C23H40N2O5+2 MolecularWeight: 424.5741

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+](C)CC1=CC(=C(C=C1)OCC(C[NH+]2CCCCCCC2)O)OC

Isomeric SMILES

CCOC(=O)C[NH+](C)CC1=CC(=C(C=C1)OC[C@@H](C[NH+]2CCCCCCC2)O)OC

InChI

InChI=1S/C23H38N2O5/c1-4-29-23(27)17-24(2)15-19-10-11-21(22(14-19)28-3)30-18-20(26)16-25-12-8-6-5-7-9-13-25/h10-11,14,20,26H,4-9,12-13,15-18H2,1-3H3/p+2/t20-/m1/s1