(4-methyl-1,4-diazepan-4-ium-1-yl)-[(2R,6S)-6-methylpiperidin-1-ium-2-yl]methanone

Systemtic Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[(2R,6S)-6-methylpiperidin-1-ium-2-yl]methanone Openeye Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[(2R,6S)-6-methylpiperidin-1-ium-2-yl]methanone CAS Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[(2R,6S)-6-methyl-2-piperidin-1-iumyl]methanone IUPAC Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[(2R,6S)-6-methylpiperidin-1-ium-2-yl]methanone Traditional Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-[(2R,6S)-6-methylpiperidin-1-ium-2-yl]methanone Formula: C13H27N3O+2 MolecularWeight: 241.37298

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH2+]1)C(=O)N2CCC[NH+](CC2)C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH2+]1)C(=O)N2CCC[NH+](CC2)C

InChI

InChI=1S/C13H25N3O/c1-11-5-3-6-12(14-11)13(17)16-8-4-7-15(2)9-10-16/h11-12,14H,3-10H2,1-2H3/p+2/t11-,12+/m0/s1