methyl 3-[[5,7-dimethyl-3-(phenylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-yl]amino]prop-2-enoate

Systemtic Name: methyl 3-[[5,7-dimethyl-3-(phenylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-yl]amino]prop-2-enoate Openeye Name: methyl 3-[(3-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-yl)amino]prop-2-enoate CAS Name: 3-[[5,7-dimethyl-3-(phenylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-yl]amino]-2-propenoic acid methyl ester IUPAC Name: methyl 3-[(3-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-yl)amino]prop-2-enoate Traditional Name: 3-[(3-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium-2-yl)amino]acrylic acid methyl ester Formula: C18H20N5O2+ MolecularWeight: 338.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+]2C(=N1)N(C(=N2)NC=CC(=O)OC)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=[N+]2C(=N1)N(C(=N2)NC=CC(=O)OC)CC3=CC=CC=C3)C

InChI

InChI=1S/C18H19N5O2/c1-13-11-14(2)23-18(20-13)22(12-15-7-5-4-6-8-15)17(21-23)19-10-9-16(24)25-3/h4-11H,12H2,1-3H3/p+1