[1-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol

Systemtic Name: [1-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Openeye Name: [1-[[1-(m-tolyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol CAS Name: [1-[[1-(3-methylphenyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]-diphenylmethanol IUPAC Name: [1-[[1-(3-methylphenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenylmethanol Traditional Name: [1-[[1-(m-tolyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Formula: C30H33N2O+ MolecularWeight: 437.59582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32N2O/c1-24-10-8-15-28(22-24)32-19-9-16-29(32)23-31-20-17-27(18-21-31)30(33,25-11-4-2-5-12-25)26-13-6-3-7-14-26/h2-16,19,22,27,33H,17-18,20-21,23H2,1H3/p+1