azepan-1-yl-[(3S,6S)-6-methylpiperidin-1-ium-3-yl]methanone

Systemtic Name: azepan-1-yl-[(3S,6S)-6-methylpiperidin-1-ium-3-yl]methanone Openeye Name: azepan-1-yl-[(3S,6S)-6-methylpiperidin-1-ium-3-yl]methanone CAS Name: 1-azepanyl-[(3S,6S)-6-methyl-3-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[(3S,6S)-6-methylpiperidin-1-ium-3-yl]methanone Traditional Name: azepan-1-yl-[(3S,6S)-6-methylpiperidin-1-ium-3-yl]methanone Formula: C13H25N2O+ MolecularWeight: 225.3504

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C[NH2+]1)C(=O)N2CCCCCC2

Isomeric SMILES

C[C@H]1CC[C@@H](C[NH2+]1)C(=O)N2CCCCCC2

InChI

InChI=1S/C13H24N2O/c1-11-6-7-12(10-14-11)13(16)15-8-4-2-3-5-9-15/h11-12,14H,2-10H2,1H3/p+1/t11-,12-/m0/s1