(4-chlorophenyl)-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-chlorophenyl)-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (4-chlorophenyl)-[(3S)-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]methanone CAS Name: (4-chlorophenyl)-[(3S)-1-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (4-chlorophenyl)-[(3S)-1-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (4-chlorophenyl)-[(3S)-1-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-yl]methanone Formula: C22H23ClN3O+ MolecularWeight: 380.89052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O/c23-19-10-8-17(9-11-19)22(27)18-5-3-13-25(15-18)16-20-6-4-14-26(20)21-7-1-2-12-24-21/h1-2,4,6-12,14,18H,3,5,13,15-16H2/p+1/t18-/m0/s1