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

Systemtic Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-[1-(2-nitrophenyl)piperidin-4-yl]methanone Openeye Name: [1-(2-nitrophenyl)-4-piperidyl]-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-[1-(2-nitrophenyl)-4-piperidinyl]methanone IUPAC Name: [4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-[1-(2-nitrophenyl)piperidin-4-yl]methanone Traditional Name: [4-(2-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=C1C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

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