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

Systemtic Name: 2-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3S)-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Formula: C20H29N4+ MolecularWeight: 325.47106

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCN2C=CC=N2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCN2C=CC=N2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H28N4/c1-2-7-19-16-23(15-9-18(19)6-1)20-8-3-11-22(17-20)12-5-14-24-13-4-10-21-24/h1-2,4,6-7,10,13,20H,3,5,8-9,11-12,14-17H2/p+1/t20-/m0/s1