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

Systemtic Name: 2-(1-adamantyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]ethanamide Openeye Name: 2-(1-adamantyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]acetamide CAS Name: 2-(1-adamantyl)-N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-(1-adamantyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]acetamide Traditional Name: 2-(1-adamantyl)-N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]acetamide Formula: C23H41N3O+2 MolecularWeight: 375.59114

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H39N3O/c1-25-7-4-21(5-8-25)26-6-2-3-20(16-26)24-22(27)15-23-12-17-9-18(13-23)11-19(10-17)14-23/h17-21H,2-16H2,1H3,(H,24,27)/p+2/t17?,18?,19?,20-,23?/m0/s1