N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide

Systemtic Name: N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide Openeye Name: 4-(morpholin-4-ium-4-ylmethyl)-N-[2-(o-tolylmethylsulfanyl)ethyl]benzamide CAS Name: N-[2-[(2-methylphenyl)methylthio]ethyl]-4-(4-morpholin-4-iumylmethyl)benzamide IUPAC Name: N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide Traditional Name: N-[2-[(2-methylbenzyl)thio]ethyl]-4-(morpholin-4-ium-4-ylmethyl)benzamide Formula: C22H29N2O2S+ MolecularWeight: 385.54286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCCNC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1CSCCNC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C22H28N2O2S/c1-18-4-2-3-5-21(18)17-27-15-10-23-22(25)20-8-6-19(7-9-20)16-24-11-13-26-14-12-24/h2-9H,10-17H2,1H3,(H,23,25)/p+1