[1-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol

Systemtic Name: [1-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Openeye Name: [1-[[1-(6-methoxy-3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol CAS Name: [1-[[1-(6-methoxy-3-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]-diphenylmethanol IUPAC Name: [1-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenylmethanol Traditional Name: [1-[[1-(6-methoxy-3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Formula: C29H32N3O2+ MolecularWeight: 454.58328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)N2C=CC=C2C[NH+]3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

Isomeric SMILES

COC1=NC=C(C=C1)N2C=CC=C2C[NH+]3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

InChI

InChI=1S/C29H31N3O2/c1-34-28-15-14-26(21-30-28)32-18-8-13-27(32)22-31-19-16-25(17-20-31)29(33,23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-15,18,21,25,33H,16-17,19-20,22H2,1H3/p+1