1-(diphenylmethyl)-4-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(diphenylmethyl)-4-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]piperazin-4-ium Openeye Name: 1-benzhydryl-4-[[1-(6-methoxy-3-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium CAS Name: 1-(diphenylmethyl)-4-[[1-(6-methoxy-3-pyridinyl)-2-pyrrolyl]methyl]piperazin-4-ium IUPAC Name: 1-benzhydryl-4-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]piperazin-4-ium Traditional Name: 1-benzhydryl-4-[[1-(6-methoxy-3-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium Formula: C28H31N4O+ MolecularWeight: 439.57194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O/c1-33-27-15-14-25(21-29-27)32-16-8-13-26(32)22-30-17-19-31(20-18-30)28(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-16,21,28H,17-20,22H2,1H3/p+1