4-(piperidin-1-ylmethyl)-4-[1-(3-propan-2-yloxyphenyl)ethoxymethyl]-1H-1,2,4-triazol-4-ium-5-one

Systemtic Name: 4-(piperidin-1-ylmethyl)-4-[1-(3-propan-2-yloxyphenyl)ethoxymethyl]-1H-1,2,4-triazol-4-ium-5-one Openeye Name: 4-[1-(3-isopropoxyphenyl)ethoxymethyl]-4-(1-piperidylmethyl)-1H-1,2,4-triazol-4-ium-5-one CAS Name: 4-(1-piperidinylmethyl)-4-[1-(3-propan-2-yloxyphenyl)ethoxymethyl]-1H-1,2,4-triazol-4-ium-5-one IUPAC Name: 4-(piperidin-1-ylmethyl)-4-[1-(3-propan-2-yloxyphenyl)ethoxymethyl]-1H-1,2,4-triazol-4-ium-5-one Traditional Name: 4-[1-(3-isopropoxyphenyl)ethoxymethyl]-4-(piperidinomethyl)-1H-1,2,4-triazol-4-ium-5-one Formula: C20H31N4O3+ MolecularWeight: 375.48514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(C)OC[N+]2(C=NNC2=O)CN3CCCCC3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(C)OC[N+]2(C=NNC2=O)CN3CCCCC3

InChI

InChI=1S/C20H30N4O3/c1-16(2)27-19-9-7-8-18(12-19)17(3)26-15-24(13-21-22-20(24)25)14-23-10-5-4-6-11-23/h7-9,12-13,16-17H,4-6,10-11,14-15H2,1-3H3/p+1