(3S)-1-(1-cyclopropylcarbonylpiperidin-4-yl)-N-[(2-methylphenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1-cyclopropylcarbonylpiperidin-4-yl)-N-[(2-methylphenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-(cyclopropanecarbonyl)-4-piperidyl]-N-(o-tolylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-[cyclopropyl(oxo)methyl]-4-piperidinyl]-N-[(2-methylphenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(2-methylphenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-(cyclopropanecarbonyl)-4-piperidyl]-N-(2-methylbenzyl)piperidin-1-ium-3-carboxamide Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C2CCC[NH+](C2)C3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)[C@H]2CCC[NH+](C2)C3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C23H33N3O2/c1-17-5-2-3-6-19(17)15-24-22(27)20-7-4-12-26(16-20)21-10-13-25(14-11-21)23(28)18-8-9-18/h2-3,5-6,18,20-21H,4,7-16H2,1H3,(H,24,27)/p+1/t20-/m0/s1