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

Systemtic Name: 6,7-dimethoxy-2-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-3-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 6,7-dimethoxy-2-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)-3-piperidyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 6,7-dimethoxy-2-[(3S)-1-(1-propyl-4-piperidin-1-iumyl)-3-piperidinyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-2-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-3-yl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 6,7-dimethoxy-2-[(3S)-1-(1-propylpiperidin-1-ium-4-yl)-3-piperidyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C24H41N3O2+2 MolecularWeight: 403.60124

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)N2CCCC(C2)[NH+]3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CCC[NH+]1CCC(CC1)N2CCC[C@@H](C2)[NH+]3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C24H39N3O2/c1-4-10-25-12-8-21(9-13-25)26-11-5-6-22(18-26)27-14-7-19-15-23(28-2)24(29-3)16-20(19)17-27/h15-16,21-22H,4-14,17-18H2,1-3H3/p+2/t22-/m0/s1