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

Systemtic Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-indan-2-yl-N-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-[[1-(3-pyridyl)pyrrol-2-yl]methyl]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=CN4C5=CN=CC=C5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC3=CC=CC=C3C2)NCC4=CC=CN4C5=CN=CC=C5

InChI

InChI=1S/C24H28N4/c1-2-7-20-15-24(14-19(20)6-1)27-12-4-8-21(18-27)26-17-23-10-5-13-28(23)22-9-3-11-25-16-22/h1-3,5-7,9-11,13,16,21,24,26H,4,8,12,14-15,17-18H2/p+1/t21-/m0/s1