[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-[1-(2-nitrophenyl)piperidin-4-yl]methanone

Systemtic Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-[1-(2-nitrophenyl)piperidin-4-yl]methanone Openeye Name: [4-(m-tolylmethyl)piperazin-4-ium-1-yl]-[1-(2-nitrophenyl)-4-piperidyl]methanone CAS Name: [4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-[1-(2-nitrophenyl)-4-piperidinyl]methanone IUPAC Name: [4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-[1-(2-nitrophenyl)piperidin-4-yl]methanone Traditional Name: [4-(3-methylbenzyl)piperazin-4-ium-1-yl]-[1-(2-nitrophenyl)-4-piperidyl]methanone Formula: C24H31N4O3+ MolecularWeight: 423.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O3/c1-19-5-4-6-20(17-19)18-25-13-15-27(16-14-25)24(29)21-9-11-26(12-10-21)22-7-2-3-8-23(22)28(30)31/h2-8,17,21H,9-16,18H2,1H3/p+1