1-(1-ethanoylpiperidin-4-yl)-3-(2-methylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-(1-ethanoylpiperidin-4-yl)-3-(2-methylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-(1-acetyl-4-piperidyl)-1-(2-morpholin-4-ium-4-ylethyl)-3-(o-tolyl)thiourea CAS Name: 1-(1-acetyl-4-piperidinyl)-3-(2-methylphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(1-acetylpiperidin-4-yl)-3-(2-methylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-(1-acetyl-4-piperidyl)-1-(2-morpholin-4-ium-4-ylethyl)-3-(o-tolyl)thiourea Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N(CC[NH+]2CCOCC2)C3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N(CC[NH+]2CCOCC2)C3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H32N4O2S/c1-17-5-3-4-6-20(17)22-21(28)25(12-11-23-13-15-27-16-14-23)19-7-9-24(10-8-19)18(2)26/h3-6,19H,7-16H2,1-2H3,(H,22,28)/p+1