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

Systemtic Name: tert-butyl N-[1-[4-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]carbamate Openeye Name: tert-butyl N-[1-[4-oxo-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]carbamate CAS Name: N-[1-[4-oxo-3-(1-piperidin-1-iumylmethyl)-1-cyclohexa-2,5-dienylidene]ethylamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[4-oxo-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]carbamate Traditional Name: N-[1-[4-keto-3-(piperidin-1-ium-1-ylmethyl)cyclohexa-2,5-dien-1-ylidene]ethylamino]carbamic acid tert-butyl ester Formula: C19H30N3O3+ MolecularWeight: 348.4598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3/c1-14(20-21-18(24)25-19(2,3)4)15-8-9-17(23)16(12-15)13-22-10-6-5-7-11-22/h8-9,12,20H,5-7,10-11,13H2,1-4H3,(H,21,24)/p+1