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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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