4-(cyclopropylamino)-3-nitro-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 4-(cyclopropylamino)-3-nitro-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Openeye Name: 4-(cyclopropylamino)-3-nitro-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide CAS Name: 4-(cyclopropylamino)-3-nitro-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzamide IUPAC Name: 4-(cyclopropylamino)-3-nitro-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Traditional Name: 4-(cyclopropylamino)-3-nitro-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Formula: C17H25N4O3+ MolecularWeight: 333.4054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O3/c22-17(18-8-3-11-20-9-1-2-10-20)13-4-7-15(19-14-5-6-14)16(12-13)21(23)24/h4,7,12,14,19H,1-3,5-6,8-11H2,(H,18,22)/p+1