2-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-1-(4-pentylphenyl)ethanone

Systemtic Name: 2-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-1-(4-pentylphenyl)ethanone Openeye Name: 2-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-1-(4-pentylphenyl)ethanone CAS Name: 2-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-1-(4-pentylphenyl)ethanone IUPAC Name: 2-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-1-(4-pentylphenyl)ethanone Traditional Name: 1-(4-amylphenyl)-2-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxol[4,5-g]isoquinolin-6-ium-5-yl]ethanone Formula: C25H32NO4+ MolecularWeight: 410.52588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)CC2C3=C(C4=C(C=C3CC[NH+]2C)OCO4)OC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)C[C@@H]2C3=C(C4=C(C=C3CC[NH+]2C)OCO4)OC

InChI

InChI=1S/C25H31NO4/c1-4-5-6-7-17-8-10-18(11-9-17)21(27)15-20-23-19(12-13-26(20)2)14-22-24(25(23)28-3)30-16-29-22/h8-11,14,20H,4-7,12-13,15-16H2,1-3H3/p+1/t20-/m1/s1