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

Systemtic Name: 4-(cyclopropylamino)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[(2R)-2-(4-fluorophenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-benzamide Formula: C22H26FN4O4+ MolecularWeight: 429.464643

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NCC(C3=CC=C(C=C3)F)[NH+]4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)NC[C@@H](C3=CC=C(C=C3)F)[NH+]4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H25FN4O4/c23-17-4-1-15(2-5-17)21(26-9-11-31-12-10-26)14-24-22(28)16-3-8-19(25-18-6-7-18)20(13-16)27(29)30/h1-5,8,13,18,21,25H,6-7,9-12,14H2,(H,24,28)/p+1/t21-/m0/s1