[1-[[1-(5-chloranylpyridin-2-yl)pyrrol-2-yl]methyl]-4-phenethyl-piperidin-1-ium-4-yl]methanol

Systemtic Name: [1-[[1-(5-chloranylpyridin-2-yl)pyrrol-2-yl]methyl]-4-phenethyl-piperidin-1-ium-4-yl]methanol Openeye Name: [1-[[1-(5-chloro-2-pyridyl)pyrrol-2-yl]methyl]-4-phenethyl-piperidin-1-ium-4-yl]methanol CAS Name: [1-[[1-(5-chloro-2-pyridinyl)-2-pyrrolyl]methyl]-4-phenethyl-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[[1-(5-chloropyridin-2-yl)pyrrol-2-yl]methyl]-4-phenethylpiperidin-1-ium-4-yl]methanol Traditional Name: [1-[[1-(5-chloro-2-pyridyl)pyrrol-2-yl]methyl]-4-phenethyl-piperidin-1-ium-4-yl]methanol Formula: C24H29ClN3O+ MolecularWeight: 410.95956

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(CCC2=CC=CC=C2)CO)CC3=CC=CN3C4=NC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1(CCC2=CC=CC=C2)CO)CC3=CC=CN3C4=NC=C(C=C4)Cl

InChI

InChI=1S/C24H28ClN3O/c25-21-8-9-23(26-17-21)28-14-4-7-22(28)18-27-15-12-24(19-29,13-16-27)11-10-20-5-2-1-3-6-20/h1-9,14,17,29H,10-13,15-16,18-19H2/p+1