4-(cyclopropylamino)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-nitro-benzamide Formula: C23H29N4O4+ MolecularWeight: 425.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O4/c1-16-2-4-17(5-3-16)21(15-26-10-12-31-13-11-26)25-23(28)18-6-9-20(24-19-7-8-19)22(14-18)27(29)30/h2-6,9,14,19,21,24H,7-8,10-13,15H2,1H3,(H,25,28)/p+1/t21-/m0/s1