3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(1-veratrylpiperidin-1-ium-3-yl)methanone Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCC(C2)C(=O)N3CCC4=CC=CC=C4C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCCC(C2)C(=O)N3CCC4=CC=CC=C4C3)OC

InChI

InChI=1S/C24H30N2O3/c1-28-22-10-9-18(14-23(22)29-2)15-25-12-5-8-21(16-25)24(27)26-13-11-19-6-3-4-7-20(19)17-26/h3-4,6-7,9-10,14,21H,5,8,11-13,15-17H2,1-2H3/p+1