3-(3-chloranyl-2-methyl-phenyl)-1-(1-ethanoylpiperidin-4-yl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 3-(3-chloranyl-2-methyl-phenyl)-1-(1-ethanoylpiperidin-4-yl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-(1-acetyl-4-piperidyl)-3-(3-chloro-2-methyl-phenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-(1-acetyl-4-piperidinyl)-3-(3-chloro-2-methylphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(1-acetylpiperidin-4-yl)-3-(3-chloro-2-methylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-(1-acetyl-4-piperidyl)-3-(3-chloro-2-methyl-phenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C21H32ClN4O2S+ MolecularWeight: 440.02238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N(CC[NH+]2CCOCC2)C3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N(CC[NH+]2CCOCC2)C3CCN(CC3)C(=O)C

InChI

InChI=1S/C21H31ClN4O2S/c1-16-19(22)4-3-5-20(16)23-21(29)26(11-10-24-12-14-28-15-13-24)18-6-8-25(9-7-18)17(2)27/h3-5,18H,6-15H2,1-2H3,(H,23,29)/p+1