2-(azepan-1-ium-1-yl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]acetamide Formula: C19H39N4O+3 MolecularWeight: 339.53916

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C19H36N4O/c1-21-13-8-18(9-14-21)23-12-6-7-17(15-23)20-19(24)16-22-10-4-2-3-5-11-22/h17-18H,2-16H2,1H3,(H,20,24)/p+3/t17-/m0/s1