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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3,4-dimethoxyphenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(1-veratrylpiperidin-1-ium-4-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+]2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3)OC

InChI

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