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

Systemtic Name: [1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Openeye Name: [1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol CAS Name: [1-[[1-(2-methoxyphenyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]-diphenylmethanol IUPAC Name: [1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenylmethanol Traditional Name: [1-[[1-(2-methoxyphenyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Formula: C30H33N2O2+ MolecularWeight: 453.59522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C=CC=C2C[NH+]3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

Isomeric SMILES

COC1=CC=CC=C1N2C=CC=C2C[NH+]3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

InChI

InChI=1S/C30H32N2O2/c1-34-29-17-9-8-16-28(29)32-20-10-15-27(32)23-31-21-18-26(19-22-31)30(33,24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-17,20,26,33H,18-19,21-23H2,1H3/p+1