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

Systemtic Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-indan-2-yl-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]amine Formula: C23H28N5+ MolecularWeight: 374.50192

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)NCC4=CC=CN4C5=NC=CC=N5

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC3=CC=CC=C3C2)NCC4=CC=CN4C5=NC=CC=N5

InChI

InChI=1S/C23H27N5/c1-2-7-19-15-22(14-18(19)6-1)27-12-3-8-20(17-27)26-16-21-9-4-13-28(21)23-24-10-5-11-25-23/h1-2,4-7,9-11,13,20,22,26H,3,8,12,14-17H2/p+1/t20-/m0/s1