2-[(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-3-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-3-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-3-piperidyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-3-piperidinyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]piperidin-3-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(3S)-1-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-3-piperidyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C22H33N4O2+ MolecularWeight: 385.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC=C1)CN2CCCC(C2)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

CC[N+]1=C(NC=C1)CN2CCC[C@@H](C2)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C22H32N4O2/c1-4-25-11-8-23-22(25)16-24-9-5-6-19(15-24)26-10-7-17-12-20(27-2)21(28-3)13-18(17)14-26/h8,11-13,19H,4-7,9-10,14-16H2,1-3H3/p+1/t19-/m0/s1