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

Systemtic Name: 1-(2-methoxyethyl)-3-[1-[4-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]thiourea Openeye Name: 1-(2-methoxyethyl)-3-[1-[4-oxo-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]thiourea CAS Name: 1-(2-methoxyethyl)-3-[1-[4-oxo-3-(1-piperidin-1-iumylmethyl)-1-cyclohexa-2,5-dienylidene]ethylamino]thiourea IUPAC Name: 1-(2-methoxyethyl)-3-[1-[4-oxo-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]thiourea Traditional Name: 1-[1-[4-keto-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]-3-(2-methoxyethyl)thiourea Formula: C18H29N4O2S+ MolecularWeight: 365.51346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O2S/c1-14(20-21-18(25)19-8-11-24-2)15-6-7-17(23)16(12-15)13-22-9-4-3-5-10-22/h6-7,12,20H,3-5,8-11,13H2,1-2H3,(H2,19,21,25)/p+1