N-cyclohexyl-4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-benzamide

Systemtic Name: N-cyclohexyl-4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-benzamide Openeye Name: N-cyclohexyl-4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-benzamide CAS Name: N-cyclohexyl-4-[3-(4-morpholin-4-iumyl)propylamino]-3-nitrobenzamide IUPAC Name: N-cyclohexyl-4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitrobenzamide Traditional Name: N-cyclohexyl-4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-benzamide Formula: C20H31N4O4+ MolecularWeight: 391.48454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NCCC[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NCCC[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H30N4O4/c25-20(22-17-5-2-1-3-6-17)16-7-8-18(19(15-16)24(26)27)21-9-4-10-23-11-13-28-14-12-23/h7-8,15,17,21H,1-6,9-14H2,(H,22,25)/p+1