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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)N2CCCC(C2)C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC[NH+]1CCC(CC1)N2CCCC(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