1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl]-3-methyl-1-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC[NH+]3CCOCC3)C(=S)NC)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC[NH+]3CCOCC3)C(=S)NC)C

InChI

InChI=1S/C20H28N4O2S/c1-14-10-15(2)17-12-16(19(25)22-18(17)11-14)13-24(20(27)21-3)5-4-23-6-8-26-9-7-23/h10-12H,4-9,13H2,1-3H3,(H,21,27)(H,22,25)/p+1