N-(4-butylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide

Systemtic Name: N-(4-butylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: N-(4-butylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: N-(4-butylphenyl)-4-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: N-(4-butylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: N-(4-butylphenyl)-4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O3/c1-3-4-5-17-6-9-19(10-7-17)23-22(27)18-8-11-20(21(16-18)26(28)29)25-14-12-24(2)13-15-25/h6-11,16H,3-5,12-15H2,1-2H3,(H,23,27)/p+1