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

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(4-propylphenyl)benzamide Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(4-propylphenyl)benzamide CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3-nitro-N-(4-propylphenyl)benzamide IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(4-propylphenyl)benzamide Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-N-(4-propylphenyl)benzamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O3/c1-3-4-16-5-8-18(9-6-16)22-21(26)17-7-10-19(20(15-17)25(27)28)24-13-11-23(2)12-14-24/h5-10,15H,3-4,11-14H2,1-2H3,(H,22,26)/p+1