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

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(4-methylpiperazin-4-ium-1-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C16H24N5O3+ MolecularWeight: 334.39346

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H23N5O3/c1-18-8-10-20(11-9-18)17-16(22)13-4-5-14(15(12-13)21(23)24)19-6-2-3-7-19/h4-5,12H,2-3,6-11H2,1H3,(H,17,22)/p+1