(4-phenylpiperazin-1-yl)-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]methanone

Systemtic Name: (4-phenylpiperazin-1-yl)-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]methanone Openeye Name: (4-phenylpiperazin-1-yl)-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]methanone CAS Name: (4-phenyl-1-piperazinyl)-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]methanone IUPAC Name: (4-phenylpiperazin-1-yl)-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]methanone Traditional Name: (4-phenylpiperazino)-[4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)phenyl]methanone Formula: C27H30N3O+ MolecularWeight: 412.5466

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O/c31-27(30-18-16-29(17-19-30)26-8-2-1-3-9-26)24-12-10-22(11-13-24)20-28-15-14-23-6-4-5-7-25(23)21-28/h1-13H,14-21H2/p+1