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

Systemtic Name: (3S)-1-[(4-chlorophenyl)methyl]-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(4-chlorophenyl)methyl]-N-[[1-(2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[(4-chlorophenyl)methyl]-N-[[1-(2-pyridinyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(4-chlorophenyl)methyl]-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(4-chlorobenzyl)piperidin-1-ium-3-yl]-[[1-(2-pyridyl)pyrrol-2-yl]methyl]amine Formula: C22H26ClN4+ MolecularWeight: 381.92164

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)Cl)NCC3=CC=CN3C4=CC=CC=N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)Cl)NCC3=CC=CN3C4=CC=CC=N4

InChI

InChI=1S/C22H25ClN4/c23-19-10-8-18(9-11-19)16-26-13-3-5-20(17-26)25-15-21-6-4-14-27(21)22-7-1-2-12-24-22/h1-2,4,6-12,14,20,25H,3,5,13,15-17H2/p+1/t20-/m0/s1