(3S)-N-[(4-ethylphenyl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[(4-ethylphenyl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[(4-ethylphenyl)methyl]-N-methyl-1-(1-methyl-4-piperidyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[(4-ethylphenyl)methyl]-N-methyl-1-(1-methyl-4-piperidinyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[(4-ethylphenyl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(4-ethylbenzyl)-N-methyl-1-(1-methyl-4-piperidyl)piperidin-1-ium-3-carboxamide Formula: C22H36N3O+ MolecularWeight: 358.54074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN(C)C(=O)C2CCC[NH+](C2)C3CCN(CC3)C

Isomeric SMILES

CCC1=CC=C(C=C1)CN(C)C(=O)[C@H]2CCC[NH+](C2)C3CCN(CC3)C

InChI

InChI=1S/C22H35N3O/c1-4-18-7-9-19(10-8-18)16-24(3)22(26)20-6-5-13-25(17-20)21-11-14-23(2)15-12-21/h7-10,20-21H,4-6,11-17H2,1-3H3/p+1/t20-/m0/s1