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

Systemtic Name: 4-(cyclopropylamino)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[(1R)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-nitro-benzamide Formula: C22H27N4O4+ MolecularWeight: 411.47418

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NC(C[NH+]3CCOCC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)N[C@@H](C[NH+]3CCOCC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c27-22(17-6-9-19(23-18-7-8-18)21(14-17)26(28)29)24-20(16-4-2-1-3-5-16)15-25-10-12-30-13-11-25/h1-6,9,14,18,20,23H,7-8,10-13,15H2,(H,24,27)/p+1/t20-/m0/s1