2-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(3S)-quinuclidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(3S)-quinuclidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Formula: C16H23N2+ MolecularWeight: 243.36722

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1C[NH+]2CCC1[C@@H](C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C16H22N2/c1-2-4-15-11-18(10-7-13(15)3-1)16-12-17-8-5-14(16)6-9-17/h1-4,14,16H,5-12H2/p+1/t16-/m1/s1