1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-pyridin-3-yl-urea

Systemtic Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-pyridin-3-yl-urea Openeye Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(3-pyridyl)urea CAS Name: 1-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-(3-pyridinyl)urea IUPAC Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3-pyridin-3-ylurea Traditional Name: 1-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(3-pyridyl)urea Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)NC2=CN=CC=C2)[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)NC2=CN=CC=C2)[NH+]3CCCCC3

InChI

InChI=1S/C20H26N4O2/c1-26-18-9-7-16(8-10-18)19(24-12-3-2-4-13-24)15-22-20(25)23-17-6-5-11-21-14-17/h5-11,14,19H,2-4,12-13,15H2,1H3,(H2,22,23,25)/p+1/t19-/m0/s1