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

Systemtic Name: 1-[1-[4-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]-3-propan-2-yl-thiourea Openeye Name: 1-isopropyl-3-[1-[4-oxo-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]thiourea CAS Name: 1-[1-[4-oxo-3-(1-piperidin-1-iumylmethyl)-1-cyclohexa-2,5-dienylidene]ethylamino]-3-propan-2-ylthiourea IUPAC Name: 1-[1-[4-oxo-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]-3-propan-2-ylthiourea Traditional Name: 1-isopropyl-3-[1-[4-keto-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]thiourea Formula: C18H29N4OS+ MolecularWeight: 349.51406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4OS/c1-13(2)19-18(24)21-20-14(3)15-7-8-17(23)16(11-15)12-22-9-5-4-6-10-22/h7-8,11,13,20H,4-6,9-10,12H2,1-3H3,(H2,19,21,24)/p+1