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

Systemtic Name: (3-methyl-2-nitro-phenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3-methyl-2-nitro-phenyl)methanone CAS Name: (3-methyl-2-nitrophenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3-methyl-2-nitrophenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3-methyl-2-nitro-phenyl)methanone Formula: C19H22N3O3+ MolecularWeight: 340.39628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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