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

Systemtic Name: 4-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-yl-ethyl]amino]-3-nitro-benzamide Openeye Name: 4-[[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]amino]-3-nitro-benzamide CAS Name: 4-[[(1R)-1-(4-methylphenyl)-2-(4-morpholin-4-iumyl)ethyl]amino]-3-nitrobenzamide IUPAC Name: 4-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]amino]-3-nitrobenzamide Traditional Name: 4-[[(1R)-2-morpholin-4-ium-4-yl-1-(p-tolyl)ethyl]amino]-3-nitro-benzamide Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH+]2CCOCC2)NC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH+]2CCOCC2)NC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4/c1-14-2-4-15(5-3-14)18(13-23-8-10-28-11-9-23)22-17-7-6-16(20(21)25)12-19(17)24(26)27/h2-7,12,18,22H,8-11,13H2,1H3,(H2,21,25)/p+1/t18-/m0/s1