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

Systemtic Name: 3-(3,4-dimethylphenyl)-1-(1-ethanoylpiperidin-4-yl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-(1-acetyl-4-piperidyl)-3-(3,4-dimethylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-(1-acetyl-4-piperidinyl)-3-(3,4-dimethylphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(1-acetylpiperidin-4-yl)-3-(3,4-dimethylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-(1-acetyl-4-piperidyl)-3-(3,4-dimethylphenyl)-1-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C22H35N4O2S+ MolecularWeight: 419.6039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CC[NH+]2CCOCC2)C3CCN(CC3)C(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CC[NH+]2CCOCC2)C3CCN(CC3)C(=O)C)C

InChI

InChI=1S/C22H34N4O2S/c1-17-4-5-20(16-18(17)2)23-22(29)26(11-10-24-12-14-28-15-13-24)21-6-8-25(9-7-21)19(3)27/h4-5,16,21H,6-15H2,1-3H3,(H,23,29)/p+1