N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-nitro-4-piperidino-benzamide Formula: C24H32N5O3+ MolecularWeight: 438.54258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H31N5O3/c1-2-26-14-16-28(17-15-26)21-9-5-4-8-20(21)25-24(30)19-10-11-22(23(18-19)29(31)32)27-12-6-3-7-13-27/h4-5,8-11,18H,2-3,6-7,12-17H2,1H3,(H,25,30)/p+1