[4-(dimethylamino)-2-methoxy-5-nitro-phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(dimethylamino)-2-methoxy-5-nitro-phenyl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[4-(dimethylamino)-2-methoxy-5-nitro-phenyl]methanone CAS Name: [4-(dimethylamino)-2-methoxy-5-nitrophenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[4-(dimethylamino)-2-methoxy-5-nitrophenyl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[4-(dimethylamino)-2-methoxy-5-nitro-phenyl]methanone Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C(=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C(=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4/c1-22(2)18-14-20(29-3)17(13-19(18)25(27)28)21(26)24-11-9-23(10-12-24)15-16-7-5-4-6-8-16/h4-8,13-14H,9-12,15H2,1-3H3/p+1