4-(cyclopropylamino)-3-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-(cyclopropylamino)-3-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-(cyclopropylamino)-3-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(cyclopropylamino)-3-nitro-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-(cyclopropylamino)-3-nitro-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-(cyclopropylamino)-3-nitro-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C23H29N4O3+ MolecularWeight: 409.50136

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O3/c28-23(19-8-11-21(25-20-9-10-20)22(14-19)27(29)30)24-15-17-4-6-18(7-5-17)16-26-12-2-1-3-13-26/h4-8,11,14,20,25H,1-3,9-10,12-13,15-16H2,(H,24,28)/p+1