(3S)-N-phenyl-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-phenyl-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-phenyl-1-[(1-thiazol-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-phenyl-1-[[1-(2-thiazolyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-phenyl-1-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-3-amine Traditional Name: phenyl-[(3S)-1-[(1-thiazol-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]amine Formula: C19H23N4S+ MolecularWeight: 339.47772

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CN2C3=NC=CS3)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CN2C3=NC=CS3)NC4=CC=CC=C4

InChI

InChI=1S/C19H22N4S/c1-2-6-16(7-3-1)21-17-8-4-11-22(14-17)15-18-9-5-12-23(18)19-20-10-13-24-19/h1-3,5-7,9-10,12-13,17,21H,4,8,11,14-15H2/p+1/t17-/m0/s1