3-nitro-4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,4-diazepan-4-ium-1-yl]benzamide

Systemtic Name: 3-nitro-4-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-1,4-diazepan-4-ium-1-yl]benzamide Openeye Name: 3-nitro-4-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1,4-diazepan-4-ium-1-yl]benzamide CAS Name: 3-nitro-4-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1,4-diazepan-4-ium-1-yl]benzamide IUPAC Name: 3-nitro-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-4-ium-1-yl]benzamide Traditional Name: 4-[4-(2-keto-2-pyrrolidino-ethyl)-1,4-diazepan-4-ium-1-yl]-3-nitro-benzamide Formula: C18H26N5O4+ MolecularWeight: 376.43014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O4/c19-18(25)14-4-5-15(16(12-14)23(26)27)21-9-3-6-20(10-11-21)13-17(24)22-7-1-2-8-22/h4-5,12H,1-3,6-11,13H2,(H2,19,25)/p+1