(3S)-N-(2-adamantyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(2-adamantyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(2-adamantyl)-1-(1-isopropylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(2-adamantyl)-1-(1-propan-2-yl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(2-adamantyl)-1-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(2-adamantyl)-1-(1-isopropylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C24H43N3O+2 MolecularWeight: 389.61772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(C)[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C24H41N3O/c1-16(2)26-8-5-22(6-9-26)27-7-3-4-19(15-27)24(28)25-23-20-11-17-10-18(13-20)14-21(23)12-17/h16-23H,3-15H2,1-2H3,(H,25,28)/p+2/t17?,18?,19-,20?,21?,23?/m0/s1