2-(2-methoxyphenyl)ethyl-[1-[3-(pyridin-3-ylcarbonylamino)phenyl]piperidin-4-yl]azanium

Systemtic Name: 2-(2-methoxyphenyl)ethyl-[1-[3-(pyridin-3-ylcarbonylamino)phenyl]piperidin-4-yl]azanium Openeye Name: 2-(2-methoxyphenyl)ethyl-[1-[3-(pyridine-3-carbonylamino)phenyl]-4-piperidyl]ammonium CAS Name: 2-(2-methoxyphenyl)ethyl-[1-[3-[[oxo(3-pyridinyl)methyl]amino]phenyl]-4-piperidinyl]ammonium IUPAC Name: 2-(2-methoxyphenyl)ethyl-[1-[3-(pyridine-3-carbonylamino)phenyl]piperidin-4-yl]azanium Traditional Name: 2-(2-methoxyphenyl)ethyl-[1-(3-nicotinamidophenyl)-4-piperidyl]ammonium Formula: C26H31N4O2+ MolecularWeight: 431.54994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC[NH2+]C2CCN(CC2)C3=CC(=CC=C3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC=C1CC[NH2+]C2CCN(CC2)C3=CC(=CC=C3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C26H30N4O2/c1-32-25-10-3-2-6-20(25)11-15-28-22-12-16-30(17-13-22)24-9-4-8-23(18-24)29-26(31)21-7-5-14-27-19-21/h2-10,14,18-19,22,28H,11-13,15-17H2,1H3,(H,29,31)/p+1