[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[(3S)-1-(3-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]azanium

Systemtic Name: [1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[(3S)-1-(3-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]azanium Openeye Name: [1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]-[(3S)-1-(3-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]ammonium CAS Name: [1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinyl]-[(3S)-1-(3-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]ammonium IUPAC Name: [1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-[(3S)-1-(3-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium Traditional Name: [(3S)-2,5-diketo-1-(3-methoxyphenyl)pyrrolidin-3-yl]-[1-(4,6-dimethylpyrimidin-2-yl)-4-piperidyl]ammonium Formula: C22H28N5O3+ MolecularWeight: 410.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCC(CC2)[NH2+]C3CC(=O)N(C3=O)C4=CC(=CC=C4)OC)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCC(CC2)[NH2+][C@H]3CC(=O)N(C3=O)C4=CC(=CC=C4)OC)C

InChI

InChI=1S/C22H27N5O3/c1-14-11-15(2)24-22(23-14)26-9-7-16(8-10-26)25-19-13-20(28)27(21(19)29)17-5-4-6-18(12-17)30-3/h4-6,11-12,16,19,25H,7-10,13H2,1-3H3/p+1/t19-/m0/s1