2-hydroxyethyl-[[1-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrol-2-yl]methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: 2-hydroxyethyl-[[1-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrol-2-yl]methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: [1-(1-benzylpiperidin-1-ium-4-yl)pyrrol-2-yl]methyl-(2-hydroxyethyl)-(3-pyridylmethyl)ammonium CAS Name: 2-hydroxyethyl-[[1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-pyrrolyl]methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [1-(1-benzylpiperidin-1-ium-4-yl)pyrrol-2-yl]methyl-(2-hydroxyethyl)-(pyridin-3-ylmethyl)azanium Traditional Name: [1-(1-benzylpiperidin-1-ium-4-yl)pyrrol-2-yl]methyl-(2-hydroxyethyl)-(3-pyridylmethyl)ammonium Formula: C25H34N4O+2 MolecularWeight: 406.56366

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C=CC=C2C[NH+](CCO)CC3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1N2C=CC=C2C[NH+](CCO)CC3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H32N4O/c30-17-16-28(20-23-8-4-12-26-18-23)21-25-9-5-13-29(25)24-10-14-27(15-11-24)19-22-6-2-1-3-7-22/h1-9,12-13,18,24,30H,10-11,14-17,19-21H2/p+2