[(3S)-1-(5,6-dimethyl-2-pyrrolidin-1-yl-pyrimidin-3-ium-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone

Systemtic Name: [(3S)-1-(5,6-dimethyl-2-pyrrolidin-1-yl-pyrimidin-3-ium-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone Openeye Name: [(3S)-1-(5,6-dimethyl-2-pyrrolidin-1-yl-pyrimidin-3-ium-4-yl)-3-piperidyl]-(1-methylimidazol-2-yl)methanone CAS Name: [(3S)-1-[5,6-dimethyl-2-(1-pyrrolidinyl)-4-pyrimidin-3-iumyl]-3-piperidinyl]-(1-methyl-2-imidazolyl)methanone IUPAC Name: [(3S)-1-(5,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-3-ium-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone Traditional Name: [(3S)-1-(5,6-dimethyl-2-pyrrolidino-pyrimidin-3-ium-4-yl)-3-piperidyl]-(1-methylimidazol-2-yl)methanone Formula: C20H29N6O+ MolecularWeight: 369.48386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C([NH+]=C1N2CCCC(C2)C(=O)C3=NC=CN3C)N4CCCC4)C

Isomeric SMILES

CC1=C(N=C([NH+]=C1N2CCC[C@@H](C2)C(=O)C3=NC=CN3C)N4CCCC4)C

InChI

InChI=1S/C20H28N6O/c1-14-15(2)22-20(25-9-4-5-10-25)23-18(14)26-11-6-7-16(13-26)17(27)19-21-8-12-24(19)3/h8,12,16H,4-7,9-11,13H2,1-3H3/p+1/t16-/m0/s1