[1-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol

Systemtic Name: [1-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Openeye Name: [1-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol CAS Name: [1-[[1-(2,4-dichlorophenyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]-diphenylmethanol IUPAC Name: [1-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenylmethanol Traditional Name: [1-[[1-(2,4-dichlorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Formula: C29H29Cl2N2O+ MolecularWeight: 492.45936

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4=CC=CN4C5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

C1C[NH+](CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4=CC=CN4C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C29H28Cl2N2O/c30-25-13-14-28(27(31)20-25)33-17-7-12-26(33)21-32-18-15-24(16-19-32)29(34,22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-14,17,20,24,34H,15-16,18-19,21H2/p+1