N-(3-chloranyl-4-methyl-phenyl)-4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-benzamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-benzamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-benzamide CAS Name: N-(3-chloro-4-methylphenyl)-4-[3-(4-morpholin-4-iumyl)propylamino]-3-nitrobenzamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitrobenzamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-benzamide Formula: C21H26ClN4O4+ MolecularWeight: 433.90854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCCC[NH+]3CCOCC3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NCCC[NH+]3CCOCC3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H25ClN4O4/c1-15-3-5-17(14-18(15)22)24-21(27)16-4-6-19(20(13-16)26(28)29)23-7-2-8-25-9-11-30-12-10-25/h3-6,13-14,23H,2,7-12H2,1H3,(H,24,27)/p+1