6,7-dimethoxy-2-[(2S)-2-piperazin-4-ium-1-ylpropyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-2-[(2S)-2-piperazin-4-ium-1-ylpropyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 6,7-dimethoxy-2-[(2S)-2-piperazin-4-ium-1-ylpropyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-[(2S)-2-(1-piperazin-4-iumyl)propyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-[(2S)-2-piperazin-4-ium-1-ylpropyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-[(2S)-2-piperazin-4-ium-1-ylpropyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H31N3O2+2 MolecularWeight: 321.45764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCC2=CC(=C(C=C2C1)OC)OC)N3CC[NH2+]CC3

Isomeric SMILES

C[C@@H](C[NH+]1CCC2=CC(=C(C=C2C1)OC)OC)N3CC[NH2+]CC3

InChI

InChI=1S/C18H29N3O2/c1-14(21-8-5-19-6-9-21)12-20-7-4-15-10-17(22-2)18(23-3)11-16(15)13-20/h10-11,14,19H,4-9,12-13H2,1-3H3/p+2/t14-/m0/s1