1-butyl-3-[1-[4-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]thiourea

Systemtic Name: 1-butyl-3-[1-[4-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]thiourea Openeye Name: 1-butyl-3-[1-[4-oxo-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]thiourea CAS Name: 1-butyl-3-[1-[4-oxo-3-(1-piperidin-1-iumylmethyl)-1-cyclohexa-2,5-dienylidene]ethylamino]thiourea IUPAC Name: 1-butyl-3-[1-[4-oxo-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]thiourea Traditional Name: 1-butyl-3-[1-[4-keto-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]thiourea Formula: C19H31N4OS+ MolecularWeight: 363.54064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC(=C1C=CC(=O)C(=C1)C[NH+]2CCCCC2)C

Isomeric SMILES

CCCCNC(=S)NNC(=C1C=CC(=O)C(=C1)C[NH+]2CCCCC2)C

InChI

InChI=1S/C19H30N4OS/c1-3-4-10-20-19(25)22-21-15(2)16-8-9-18(24)17(13-16)14-23-11-6-5-7-12-23/h8-9,13,21H,3-7,10-12,14H2,1-2H3,(H2,20,22,25)/p+1