3-[4-(2-methoxyphenyl)carbonylpiperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 3-[4-(2-methoxyphenyl)carbonylpiperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[4-[(2-methoxyphenyl)-oxomethyl]-1-piperazinyl]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(4-o-anisoylpiperazino)-1-phenyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C28H29N4O2+ MolecularWeight: 453.55546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CCN(CC2)C3=[NH+]C(=C4CCCCC4=C3C#N)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CCN(CC2)C3=[NH+]C(=C4CCCCC4=C3C#N)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4O2/c1-34-25-14-8-7-13-23(25)28(33)32-17-15-31(16-18-32)27-24(19-29)21-11-5-6-12-22(21)26(30-27)20-9-3-2-4-10-20/h2-4,7-10,13-14H,5-6,11-12,15-18H2,1H3/p+1