(3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(1-propylpiperidin-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(1-propylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(1-propyl-4-piperidyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(1-propyl-4-piperidinyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-(1-propylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-homoveratryl-N-methyl-1-(1-propyl-4-piperidyl)piperidin-1-ium-3-carboxamide Formula: C25H42N3O3+ MolecularWeight: 432.61928

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)[NH+]2CCCC(C2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCN1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H41N3O3/c1-5-13-27-16-11-22(12-17-27)28-14-6-7-21(19-28)25(29)26(2)15-10-20-8-9-23(30-3)24(18-20)31-4/h8-9,18,21-22H,5-7,10-17,19H2,1-4H3/p+1/t21-/m0/s1