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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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