1-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[2-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanoyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxoethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[2-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C18H28N5O3S+ MolecularWeight: 394.51162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC(=O)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC(=O)N2CCC(CC2)(C(=O)N)[NH+]3CCCCC3

InChI

InChI=1S/C18H27N5O3S/c1-13-11-14(24)21-17(20-13)27-12-15(25)22-9-5-18(6-10-22,16(19)26)23-7-3-2-4-8-23/h11H,2-10,12H2,1H3,(H2,19,26)(H,20,21,24)/p+1