2-[(3S)-1-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[(3S)-1-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(3S)-1-[[3-(m-tolyl)-1H-imidazol-3-ium-2-yl]methyl]-3-piperidyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3S)-1-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]-3-piperidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(3S)-1-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]piperidin-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(3S)-1-[[3-(m-tolyl)-1H-imidazol-3-ium-2-yl]methyl]-3-piperidyl]-3,4-dihydro-1H-isoquinoline Formula: C25H31N4+ MolecularWeight: 387.54044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[N+]2=C(NC=C2)CN3CCCC(C3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=CC(=CC=C1)[N+]2=C(NC=C2)CN3CCC[C@@H](C3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H30N4/c1-20-6-4-9-23(16-20)29-15-12-26-25(29)19-27-13-5-10-24(18-27)28-14-11-21-7-2-3-8-22(21)17-28/h2-4,6-9,12,15-16,24H,5,10-11,13-14,17-19H2,1H3/p+1/t24-/m0/s1