(4R)-6-methoxy-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (4R)-6-methoxy-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (4R)-4-(4-benzylpiperazin-4-ium-1-yl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (4R)-6-methoxy-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (4R)-4-(4-benzylpiperazin-4-ium-1-yl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (4R)-4-(4-benzylpiperazin-4-ium-1-yl)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C21H29N3O+2 MolecularWeight: 339.47446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C[NH2+]CC2N3CC[NH+](CC3)CC4=CC=CC=C4)C=C1

Isomeric SMILES

COC1=CC2=C(C[NH2+]C[C@@H]2N3CC[NH+](CC3)CC4=CC=CC=C4)C=C1

InChI

InChI=1S/C21H27N3O/c1-25-19-8-7-18-14-22-15-21(20(18)13-19)24-11-9-23(10-12-24)16-17-5-3-2-4-6-17/h2-8,13,21-22H,9-12,14-16H2,1H3/p+2/t21-/m0/s1