1-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[[5-(hydroxymethyl)-2-methyl-3-oxidanylidene-pyridin-4-ylidene]methylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridylidene]methylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[[5-(hydroxymethyl)-2-methyl-3-oxo-4-pyridinylidene]methylamino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[[5-(hydroxymethyl)-2-methyl-3-oxopyridin-4-ylidene]methylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(3-keto-2-methyl-5-methylol-4-pyridylidene)methylamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C16H26N5O3S+ MolecularWeight: 368.47434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNNC(=S)NCCC[NH+]2CCOCC2)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNNC(=S)NCCC[NH+]2CCOCC2)C1=O)CO

InChI

InChI=1S/C16H25N5O3S/c1-12-15(23)14(13(11-22)9-18-12)10-19-20-16(25)17-3-2-4-21-5-7-24-8-6-21/h9-10,19,22H,2-8,11H2,1H3,(H2,17,20,25)/p+1