5-[(1S)-1-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-phenyl-1-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazin-6-one

Systemtic Name: 5-[(1S)-1-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-phenyl-1-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazin-6-one Openeye Name: 5-[(1S)-1-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-phenyl-1-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazin-6-one CAS Name: 5-[(1S)-1-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-3-phenyl-1-(1-piperidin-1-iumylmethyl)-1,2,4-triazin-6-one IUPAC Name: 5-[(1S)-1-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3-phenyl-1-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazin-6-one Traditional Name: 5-[(1S)-1-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-3-phenyl-1-(piperidin-1-ium-1-ylmethyl)-1,2,4-triazin-6-one Formula: C29H39N5O2+2 MolecularWeight: 489.65226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C[NH+]2CCCCC2)C3=NC(=NN(C3=O)C[NH+]4CCCCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H](C[NH+]2CCCCC2)C3=NC(=NN(C3=O)C[NH+]4CCCCC4)C5=CC=CC=C5

InChI

InChI=1S/C29H37N5O2/c1-36-25-15-13-23(14-16-25)26(21-32-17-7-3-8-18-32)27-29(35)34(22-33-19-9-4-10-20-33)31-28(30-27)24-11-5-2-6-12-24/h2,5-6,11-16,26H,3-4,7-10,17-22H2,1H3/p+2/t26-/m1/s1