(4S)-6-methoxy-4-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (4S)-6-methoxy-4-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (4S)-6-methoxy-4-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (4S)-6-methoxy-4-(4-phenyl-1-piperazinyl)-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (4S)-6-methoxy-4-(4-phenylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (4S)-6-methoxy-4-(4-phenylpiperazino)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C[NH2+]CC2N3CCN(CC3)C4=CC=CC=C4)C=C1

Isomeric SMILES

COC1=CC2=C(C[NH2+]C[C@H]2N3CCN(CC3)C4=CC=CC=C4)C=C1

InChI

InChI=1S/C20H25N3O/c1-24-18-8-7-16-14-21-15-20(19(16)13-18)23-11-9-22(10-12-23)17-5-3-2-4-6-17/h2-8,13,20-21H,9-12,14-15H2,1H3/p+1/t20-/m1/s1