2-nitro-5-piperazin-4-ium-1-yl-N-[(4-propan-2-ylphenyl)methyl]aniline

Systemtic Name: 2-nitro-5-piperazin-4-ium-1-yl-N-[(4-propan-2-ylphenyl)methyl]aniline Openeye Name: N-[(4-isopropylphenyl)methyl]-2-nitro-5-piperazin-4-ium-1-yl-aniline CAS Name: 2-nitro-5-(1-piperazin-4-iumyl)-N-[(4-propan-2-ylphenyl)methyl]aniline IUPAC Name: 2-nitro-5-piperazin-4-ium-1-yl-N-[(4-propan-2-ylphenyl)methyl]aniline Traditional Name: (4-isopropylbenzyl)-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)amine Formula: C20H27N4O2+ MolecularWeight: 355.45398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CNC2=C(C=CC(=C2)N3CC[NH2+]CC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CNC2=C(C=CC(=C2)N3CC[NH2+]CC3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O2/c1-15(2)17-5-3-16(4-6-17)14-22-19-13-18(7-8-20(19)24(25)26)23-11-9-21-10-12-23/h3-8,13,15,21-22H,9-12,14H2,1-2H3/p+1