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

Systemtic Name: (3S)-N-cyclopropyl-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-(o-tolylmethyl)piperidin-1-ium-4-yl]piperidine-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-(2-methylbenzyl)piperidin-1-ium-4-yl]nipecotamide Formula: C22H34N3O+ MolecularWeight: 356.52486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)N3CCCC(C3)C(=O)NC4CC4

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)N3CCC[C@@H](C3)C(=O)NC4CC4

InChI

InChI=1S/C22H33N3O/c1-17-5-2-3-6-18(17)15-24-13-10-21(11-14-24)25-12-4-7-19(16-25)22(26)23-20-8-9-20/h2-3,5-6,19-21H,4,7-16H2,1H3,(H,23,26)/p+1/t19-/m0/s1