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

Systemtic Name: 4-(methylamino)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-(methylamino)-N-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-nitro-benzamide CAS Name: 4-(methylamino)-N-[(1S)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(methylamino)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-3-nitrobenzamide Traditional Name: 4-(methylamino)-N-[(1S)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]-3-nitro-benzamide Formula: C21H27N4O4+ MolecularWeight: 399.46348

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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)NC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-15-3-5-16(6-4-15)19(14-24-9-11-29-12-10-24)23-21(26)17-7-8-18(22-2)20(13-17)25(27)28/h3-8,13,19,22H,9-12,14H2,1-2H3,(H,23,26)/p+1/t19-/m1/s1