[1-[[1-(6-methylpyridin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol

Systemtic Name: [1-[[1-(6-methylpyridin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Openeye Name: [1-[[1-(6-methyl-2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol CAS Name: [1-[[1-(6-methyl-2-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]-diphenylmethanol IUPAC Name: [1-[[1-(6-methylpyridin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenylmethanol Traditional Name: [1-[[1-(6-methyl-2-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Formula: C29H32N3O+ MolecularWeight: 438.58388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2C=CC=C2C[NH+]3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

Isomeric SMILES

CC1=NC(=CC=C1)N2C=CC=C2C[NH+]3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

InChI

InChI=1S/C29H31N3O/c1-23-10-8-16-28(30-23)32-19-9-15-27(32)22-31-20-17-26(18-21-31)29(33,24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-16,19,26,33H,17-18,20-22H2,1H3/p+1