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

Systemtic Name: 4-(azepan-1-yl)-N-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(4-methyl-1-piperazin-4-iumyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(4-methylpiperazin-4-ium-1-yl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzamide Formula: C18H28N5O3+ MolecularWeight: 362.44662

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H27N5O3/c1-20-10-12-22(13-11-20)19-18(24)15-6-7-16(17(14-15)23(25)26)21-8-4-2-3-5-9-21/h6-7,14H,2-5,8-13H2,1H3,(H,19,24)/p+1