N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(4-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-(4-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(4-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(4-methylpiperidino)-3-nitro-benzamide Formula: C24H32N5O3+ MolecularWeight: 438.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C24H31N5O3/c1-18-9-11-28(12-10-18)22-8-3-19(17-23(22)29(31)32)24(30)25-20-4-6-21(7-5-20)27-15-13-26(2)14-16-27/h3-8,17-18H,9-16H2,1-2H3,(H,25,30)/p+1