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

Systemtic Name: (3S)-N-phenyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-phenyl-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-phenyl-1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-phenyl-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Traditional Name: phenyl-[(3S)-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]amine Formula: C21H25N4+ MolecularWeight: 333.45

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4/c1-2-8-18(9-3-1)23-19-10-6-14-24(16-19)17-20-11-7-15-25(20)21-12-4-5-13-22-21/h1-5,7-9,11-13,15,19,23H,6,10,14,16-17H2/p+1/t19-/m0/s1