(1S)-6,7-diethoxy-1-pentan-3-yl-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1S)-6,7-diethoxy-1-pentan-3-yl-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1S)-6,7-diethoxy-1-(1-ethylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1S)-6,7-diethoxy-1-pentan-3-yl-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1S)-6,7-diethoxy-1-pentan-3-yl-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1S)-6,7-diethoxy-1-(1-ethylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H30NO2+ MolecularWeight: 292.4363

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1C2=CC(=C(C=C2CC[NH2+]1)OCC)OCC

Isomeric SMILES

CCC(CC)[C@H]1C2=CC(=C(C=C2CC[NH2+]1)OCC)OCC

InChI

InChI=1S/C18H29NO2/c1-5-13(6-2)18-15-12-17(21-8-4)16(20-7-3)11-14(15)9-10-19-18/h11-13,18-19H,5-10H2,1-4H3/p+1/t18-/m0/s1