(3S)-2-ethyl-3-[[(3R)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: (3S)-2-ethyl-3-[[(3R)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: (3S)-2-ethyl-3-[[(3R)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-3,4-dihydro-1H-isoquinoline CAS Name: (3S)-2-ethyl-3-[[(3R)-3-(methoxymethyl)-1-pyrrolidin-1-iumyl]methyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: (3S)-2-ethyl-3-[[(3R)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-3,4-dihydro-1H-isoquinoline Traditional Name: (3S)-2-ethyl-3-[[(3R)-3-(methoxymethyl)pyrrolidin-1-ium-1-yl]methyl]-3,4-dihydro-1H-isoquinoline Formula: C18H29N2O+ MolecularWeight: 289.43566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC2=CC=CC=C2CC1C[NH+]3CCC(C3)COC

Isomeric SMILES

CCN1CC2=CC=CC=C2C[C@H]1C[NH+]3CC[C@H](C3)COC

InChI

InChI=1S/C18H28N2O/c1-3-20-12-17-7-5-4-6-16(17)10-18(20)13-19-9-8-15(11-19)14-21-2/h4-7,15,18H,3,8-14H2,1-2H3/p+1/t15-,18+/m1/s1