(3S)-N-phenyl-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-phenyl-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-phenyl-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-phenyl-1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-phenyl-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Traditional Name: phenyl-[(3S)-1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]amine Formula: C20H24N5+ MolecularWeight: 334.43806

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CN2C3=NC=CC=N3)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CN2C3=NC=CC=N3)NC4=CC=CC=C4

InChI

InChI=1S/C20H23N5/c1-2-7-17(8-3-1)23-18-9-4-13-24(15-18)16-19-10-5-14-25(19)20-21-11-6-12-22-20/h1-3,5-8,10-12,14,18,23H,4,9,13,15-16H2/p+1/t18-/m0/s1