2-[2-[[4-[oxidanyl(diphenyl)methyl]piperidin-1-ium-1-yl]methyl]pyrrol-1-yl]benzenecarbonitrile

Systemtic Name: 2-[2-[[4-[oxidanyl(diphenyl)methyl]piperidin-1-ium-1-yl]methyl]pyrrol-1-yl]benzenecarbonitrile Openeye Name: 2-[2-[[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]methyl]pyrrol-1-yl]benzonitrile CAS Name: 2-[2-[[4-[hydroxy(diphenyl)methyl]-1-piperidin-1-iumyl]methyl]-1-pyrrolyl]benzonitrile IUPAC Name: 2-[2-[[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]methyl]pyrrol-1-yl]benzonitrile Traditional Name: 2-[2-[[4-[hydroxy(diphenyl)methyl]piperidin-1-ium-1-yl]methyl]pyrrol-1-yl]benzonitrile Formula: C30H30N3O+ MolecularWeight: 448.5787

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4=CC=CN4C5=CC=CC=C5C#N

Isomeric SMILES

C1C[NH+](CCC1C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4=CC=CN4C5=CC=CC=C5C#N

InChI

InChI=1S/C30H29N3O/c31-22-24-10-7-8-16-29(24)33-19-9-15-28(33)23-32-20-17-27(18-21-32)30(34,25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-16,19,27,34H,17-18,20-21,23H2/p+1