(3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-indan-2-yl-N-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[[3-(1-pyrazolyl)phenyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-(3-pyrazol-1-ylbenzyl)amine Formula: C24H29N4+ MolecularWeight: 373.51386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)NCC4=CC(=CC=C4)N5C=CC=N5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC3=CC=CC=C3C2)NCC4=CC(=CC=C4)N5C=CC=N5

InChI

InChI=1S/C24H28N4/c1-2-8-21-16-24(15-20(21)7-1)27-12-4-9-22(18-27)25-17-19-6-3-10-23(14-19)28-13-5-11-26-28/h1-3,5-8,10-11,13-14,22,24-25H,4,9,12,15-18H2/p+1/t22-/m0/s1