1,2-dihydroacenaphthylen-5-yl-[(3S)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,2-dihydroacenaphthylen-5-yl-[(3S)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 1,2-dihydroacenaphthylen-5-yl-[(3S)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1,2-dihydroacenaphthylen-5-yl-[(3S)-1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 1,2-dihydroacenaphthylen-5-yl-[(3S)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: acenaphthen-5-yl-[(3S)-1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]methanone Formula: C27H27N4O+ MolecularWeight: 423.52948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CN2C3=NC=CC=N3)C(=O)C4=C5C=CC=C6C5=C(CC6)C=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CN2C3=NC=CC=N3)C(=O)C4=C5C=CC=C6C5=C(CC6)C=C4

InChI

InChI=1S/C27H26N4O/c32-26(24-12-11-20-10-9-19-5-1-8-23(24)25(19)20)21-6-2-15-30(17-21)18-22-7-3-16-31(22)27-28-13-4-14-29-27/h1,3-5,7-8,11-14,16,21H,2,6,9-10,15,17-18H2/p+1/t21-/m0/s1