cyclohexen-1-yl-[(3S)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-yl]methanone

Systemtic Name: cyclohexen-1-yl-[(3S)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-yl]methanone Openeye Name: cyclohexen-1-yl-[(3S)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-piperidyl]methanone CAS Name: 1-cyclohexenyl-[(3S)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-piperidinyl]methanone IUPAC Name: cyclohexen-1-yl-[(3S)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidin-1-yl]methanone Traditional Name: cyclohexen-1-yl-[(3S)-3-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)piperidino]methanone Formula: C23H33N2O3+ MolecularWeight: 385.51972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)C3CCCN(C3)C(=O)C4=CCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)[C@H]3CCCN(C3)C(=O)C4=CCCCC4)OC

InChI

InChI=1S/C23H32N2O3/c1-27-21-13-18-10-12-24(15-19(18)14-22(21)28-2)20-9-6-11-25(16-20)23(26)17-7-4-3-5-8-17/h7,13-14,20H,3-6,8-12,15-16H2,1-2H3/p+1/t20-/m0/s1