3-(2-methylphenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]propanamide

Systemtic Name: 3-(2-methylphenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]propanamide Openeye Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]-3-(o-tolyl)propanamide CAS Name: 3-(2-methylphenyl)-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidinyl]propanamide IUPAC Name: 3-(2-methylphenyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-3-yl]propanamide Traditional Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)-3-piperidyl]-3-(o-tolyl)propionamide Formula: C21H34N3O+ MolecularWeight: 344.51416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(=O)NC2CCCN(C2)C3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=CC=C1CCC(=O)N[C@H]2CCCN(C2)C3CC[NH+](CC3)C

InChI

InChI=1S/C21H33N3O/c1-17-6-3-4-7-18(17)9-10-21(25)22-19-8-5-13-24(16-19)20-11-14-23(2)15-12-20/h3-4,6-7,19-20H,5,8-16H2,1-2H3,(H,22,25)/p+1/t19-/m0/s1