(4S)-5,8-dimethoxy-4-oxidanyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: (4S)-5,8-dimethoxy-4-oxidanyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: (4S)-N-(1-benzylpiperidin-1-ium-4-yl)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: (4S)-4-hydroxy-5,8-dimethoxy-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: (4S)-N-(1-benzylpiperidin-1-ium-4-yl)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: (4S)-N-(1-benzylpiperidin-1-ium-4-yl)-4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C24H32N3O4+ MolecularWeight: 426.52858

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2CN(CC(C2=C(C=C1)OC)O)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=C2CN(C[C@H](C2=C(C=C1)OC)O)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O4/c1-30-21-8-9-22(31-2)23-19(21)15-27(16-20(23)28)24(29)25-18-10-12-26(13-11-18)14-17-6-4-3-5-7-17/h3-9,18,20,28H,10-16H2,1-2H3,(H,25,29)/p+1/t20-/m1/s1