(2-methoxy-5-nitro-phenyl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-methoxy-5-nitro-phenyl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2-methoxy-5-nitro-phenyl)-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (2-methoxy-5-nitrophenyl)-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-methoxy-5-nitrophenyl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2-methoxy-5-nitro-phenyl)-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4/c1-15-4-3-5-16(12-15)14-21-8-10-22(11-9-21)20(24)18-13-17(23(25)26)6-7-19(18)27-2/h3-7,12-13H,8-11,14H2,1-2H3/p+1