2-[ethyl-[1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[ethyl-[1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[ethyl-[1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[ethyl-[[1-[4-(3-methoxyphenyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[ethyl-[1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methylpyrazole-4-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[ethyl-[1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C22H29N6O2+ MolecularWeight: 409.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[NH+](C)C)C(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC(=CC=C3)OC)C

Isomeric SMILES

CCN(CC[NH+](C)C)C(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC(=CC=C3)OC)C

InChI

InChI=1S/C22H28N6O2/c1-6-27(13-12-26(3)4)21(29)19-15-24-28(16(19)2)22-23-11-10-20(25-22)17-8-7-9-18(14-17)30-5/h7-11,14-15H,6,12-13H2,1-5H3/p+1