3-acetamido-4-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide

Systemtic Name: 3-acetamido-4-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Openeye Name: 3-acetamido-N-(3-morpholin-4-ium-4-ylpropyl)-4-(p-tolylsulfanyl)benzamide CAS Name: 3-acetamido-4-[(4-methylphenyl)thio]-N-[3-(4-morpholin-4-iumyl)propyl]benzamide IUPAC Name: 3-acetamido-4-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ium-4-ylpropyl)benzamide Traditional Name: 3-acetamido-N-(3-morpholin-4-ium-4-ylpropyl)-4-(p-tolylthio)benzamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCC[NH+]3CCOCC3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCCC[NH+]3CCOCC3)NC(=O)C

InChI

InChI=1S/C23H29N3O3S/c1-17-4-7-20(8-5-17)30-22-9-6-19(16-21(22)25-18(2)27)23(28)24-10-3-11-26-12-14-29-15-13-26/h4-9,16H,3,10-15H2,1-2H3,(H,24,28)(H,25,27)/p+1