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

Systemtic Name: 1-[1-[4-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]-3-phenyl-urea Openeye Name: 1-[1-[4-oxo-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]-3-phenyl-urea CAS Name: 1-[1-[4-oxo-3-(1-piperidin-1-iumylmethyl)-1-cyclohexa-2,5-dienylidene]ethylamino]-3-phenylurea IUPAC Name: 1-[1-[4-oxo-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]-3-phenylurea Traditional Name: 1-[1-[4-keto-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]-3-phenyl-urea Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C=CC(=O)C(=C1)C[NH+]2CCCCC2)NNC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(=C1C=CC(=O)C(=C1)C[NH+]2CCCCC2)NNC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O2/c1-16(23-24-21(27)22-19-8-4-2-5-9-19)17-10-11-20(26)18(14-17)15-25-12-6-3-7-13-25/h2,4-5,8-11,14,23H,3,6-7,12-13,15H2,1H3,(H2,22,24,27)/p+1