(3-methyl-4-nitro-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-methyl-4-nitro-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3-methyl-4-nitro-phenyl)methanone CAS Name: (3-methyl-4-nitrophenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-methyl-4-nitrophenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3-methyl-4-nitro-phenyl)methanone Formula: C19H22N3O3+ MolecularWeight: 340.39628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3/c1-15-13-17(7-8-18(15)22(24)25)19(23)21-11-9-20(10-12-21)14-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3/p+1