(3S)-3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-phenyl-piperidine-1-carboxamide

Systemtic Name: (3S)-3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-phenyl-piperidine-1-carboxamide Openeye Name: (3S)-3-[4-(m-tolylmethyl)piperazin-4-ium-1-carbonyl]-N-phenyl-piperidine-1-carboxamide CAS Name: (3S)-3-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: (3S)-3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]-N-phenylpiperidine-1-carboxamide Traditional Name: (3S)-3-[4-(3-methylbenzyl)piperazin-4-ium-1-carbonyl]-N-phenyl-piperidine-1-carboxamide Formula: C25H33N4O2+ MolecularWeight: 421.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3CCCN(C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)[C@H]3CCCN(C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O2/c1-20-7-5-8-21(17-20)18-27-13-15-28(16-14-27)24(30)22-9-6-12-29(19-22)25(31)26-23-10-3-2-4-11-23/h2-5,7-8,10-11,17,22H,6,9,12-16,18-19H2,1H3,(H,26,31)/p+1/t22-/m0/s1