2-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[1-[(2,4,5-trimethoxyphenyl)methyl]-4-piperidin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[1-(2,4,5-trimethoxybenzyl)piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline Formula: C24H33N2O3+ MolecularWeight: 397.53042

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCC(CC2)N3CCC4=CC=CC=C4C3)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCC(CC2)N3CCC4=CC=CC=C4C3)OC)OC

InChI

InChI=1S/C24H32N2O3/c1-27-22-15-24(29-3)23(28-2)14-20(22)16-25-11-9-21(10-12-25)26-13-8-18-6-4-5-7-19(18)17-26/h4-7,14-15,21H,8-13,16-17H2,1-3H3/p+1