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

Systemtic Name: 4-(methylamino)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-nitro-benzamide Openeye Name: 4-(methylamino)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-nitro-benzamide CAS Name: 4-(methylamino)-N-[(1S)-2-(4-morpholin-4-iumyl)-1-phenylethyl]-3-nitrobenzamide IUPAC Name: 4-(methylamino)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-nitrobenzamide Traditional Name: 4-(methylamino)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenyl-ethyl]-3-nitro-benzamide Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)NC(C[NH+]2CCOCC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)N[C@H](C[NH+]2CCOCC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4/c1-21-17-8-7-16(13-19(17)24(26)27)20(25)22-18(15-5-3-2-4-6-15)14-23-9-11-28-12-10-23/h2-8,13,18,21H,9-12,14H2,1H3,(H,22,25)/p+1/t18-/m1/s1