(5S)-1-cyclopropyl-5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-piperidin-2-one

Systemtic Name: (5S)-1-cyclopropyl-5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonyl-piperidin-2-one Openeye Name: (5S)-1-cyclopropyl-5-[4-(m-tolylmethyl)piperazin-4-ium-1-carbonyl]piperidin-2-one CAS Name: (5S)-1-cyclopropyl-5-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-piperidinone IUPAC Name: (5S)-1-cyclopropyl-5-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]piperidin-2-one Traditional Name: (5S)-1-cyclopropyl-5-[4-(3-methylbenzyl)piperazin-4-ium-1-carbonyl]-2-piperidone Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3CCC(=O)N(C3)C4CC4

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)[C@H]3CCC(=O)N(C3)C4CC4

InChI

InChI=1S/C21H29N3O2/c1-16-3-2-4-17(13-16)14-22-9-11-23(12-10-22)21(26)18-5-8-20(25)24(15-18)19-6-7-19/h2-4,13,18-19H,5-12,14-15H2,1H3/p+1/t18-/m0/s1