3-methyl-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 3-methyl-1-[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 3-methyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 3-methyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 3-methyl-1-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C19H27N4O2S+ MolecularWeight: 375.50828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC[NH+]3CCOCC3)C(=S)NC

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC[NH+]3CCOCC3)C(=S)NC

InChI

InChI=1S/C19H26N4O2S/c1-14-4-3-5-15-12-16(18(24)21-17(14)15)13-23(19(26)20-2)7-6-22-8-10-25-11-9-22/h3-5,12H,6-11,13H2,1-2H3,(H,20,26)(H,21,24)/p+1