6-[4-(6-methyl-4-phenyl-quinazolin-2-yl)piperazin-4-ium-1-yl]carbonylcyclohex-3-ene-1-carboxylate

Systemtic Name: 6-[4-(6-methyl-4-phenyl-quinazolin-2-yl)piperazin-4-ium-1-yl]carbonylcyclohex-3-ene-1-carboxylate Openeye Name: 6-[4-(6-methyl-4-phenyl-quinazolin-2-yl)piperazin-4-ium-1-carbonyl]cyclohex-3-ene-1-carboxylate CAS Name: 6-[[4-(6-methyl-4-phenyl-2-quinazolinyl)-1-piperazin-4-iumyl]-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: 6-[4-(6-methyl-4-phenylquinazolin-2-yl)piperazin-4-ium-1-carbonyl]cyclohex-3-ene-1-carboxylate Traditional Name: 6-[4-(6-methyl-4-phenyl-quinazolin-2-yl)piperazin-4-ium-1-carbonyl]cyclohex-3-ene-1-carboxylate Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)[NH+]4CCN(CC4)C(=O)C5CC=CCC5C(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2C3=CC=CC=C3)[NH+]4CCN(CC4)C(=O)C5CC=CCC5C(=O)[O-]

InChI

InChI=1S/C27H28N4O3/c1-18-11-12-23-22(17-18)24(19-7-3-2-4-8-19)29-27(28-23)31-15-13-30(14-16-31)25(32)20-9-5-6-10-21(20)26(33)34/h2-8,11-12,17,20-21H,9-10,13-16H2,1H3,(H,33,34)