(11bS)-7,7-dimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-ium-4-one

Systemtic Name: (11bS)-7,7-dimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-ium-4-one Openeye Name: (11bS)-7,7-dimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-ium-4-one CAS Name: (11bS)-7,7-dimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-ium-4-one IUPAC Name: (11bS)-7,7-dimethyl-2,3,6,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-2-ium-4-one Traditional Name: (11bS)-7,7-dimethyl-2,3,6,11b-tetrahydro-1H-pyrazin[2,1-a]isoquinolin-2-ium-4-one Formula: C14H19N2O+ MolecularWeight: 231.31346

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN2C(C[NH2+]CC2=O)C3=CC=CC=C31)C

Isomeric SMILES

CC1(CN2[C@H](C[NH2+]CC2=O)C3=CC=CC=C31)C

InChI

InChI=1S/C14H18N2O/c1-14(2)9-16-12(7-15-8-13(16)17)10-5-3-4-6-11(10)14/h3-6,12,15H,7-9H2,1-2H3/p+1/t12-/m1/s1