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

Systemtic Name: 2-[(3S)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(3S)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3S)-1-[(1-methyl-3-phenyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(3S)-1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(3S)-1-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Formula: C25H31N4+ MolecularWeight: 387.54044

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCCC(C3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCC[C@@H](C3)N4CCC5=CC=CC=C5C4

InChI

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