N-(2-methyl-4-nitro-phenyl)-4-(phenylmethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-4-(phenylmethyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-benzyl-N-(2-methyl-4-nitro-phenyl)piperazin-4-ium-1-carboxamide CAS Name: N-(2-methyl-4-nitrophenyl)-4-(phenylmethyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-benzyl-N-(2-methyl-4-nitrophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-benzyl-N-(2-methyl-4-nitro-phenyl)piperazin-4-ium-1-carboxamide Formula: C19H23N4O3+ MolecularWeight: 355.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O3/c1-15-13-17(23(25)26)7-8-18(15)20-19(24)22-11-9-21(10-12-22)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,20,24)/p+1