(3S)-3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylpiperidine-1-carboxamide

Systemtic Name: (3S)-3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylpiperidine-1-carboxamide Openeye Name: (3S)-3-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]piperidine-1-carboxamide CAS Name: (3S)-3-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1-piperidinecarboxamide IUPAC Name: (3S)-3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]piperidine-1-carboxamide Traditional Name: (3S)-3-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]piperidine-1-carboxamide Formula: C19H29N4O2+ MolecularWeight: 345.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3CCCN(C3)C(=O)N

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)[C@H]3CCCN(C3)C(=O)N

InChI

InChI=1S/C19H28N4O2/c1-15-5-2-3-6-16(15)13-21-9-11-22(12-10-21)18(24)17-7-4-8-23(14-17)19(20)25/h2-3,5-6,17H,4,7-14H2,1H3,(H2,20,25)/p+1/t17-/m0/s1