4-(methylamino)-3-nitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide

Systemtic Name: 4-(methylamino)-3-nitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Openeye Name: 4-(methylamino)-3-nitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide CAS Name: 4-(methylamino)-3-nitro-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]benzamide IUPAC Name: 4-(methylamino)-3-nitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Traditional Name: 4-(methylamino)-3-nitro-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]benzamide Formula: C20H26N5O3+ MolecularWeight: 384.45214

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O3/c1-21-18-8-7-16(15-19(18)25(27)28)20(26)22-9-10-23-11-13-24(14-12-23)17-5-3-2-4-6-17/h2-8,15,21H,9-14H2,1H3,(H,22,26)/p+1