[2-(dimethylamino)-5-nitro-phenyl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: [2-(dimethylamino)-5-nitro-phenyl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [2-(dimethylamino)-5-nitro-phenyl]-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: [2-(dimethylamino)-5-nitrophenyl]-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [2-(dimethylamino)-5-nitrophenyl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [2-(dimethylamino)-5-nitro-phenyl]-[4-(4-isopropylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O3/c1-17(2)19-7-5-18(6-8-19)16-25-11-13-26(14-12-25)23(28)21-15-20(27(29)30)9-10-22(21)24(3)4/h5-10,15,17H,11-14,16H2,1-4H3/p+1