(3S)-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N-phenethyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N-phenethyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-(2,2-dimethylpropanoyl)-4-piperidyl]-N-phenethyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(2,2-dimethyl-1-oxopropyl)-4-piperidinyl]-N-phenethyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-N-phenethylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-phenethyl-1-(1-pivaloyl-4-piperidyl)piperidin-1-ium-3-carboxamide Formula: C24H38N3O2+ MolecularWeight: 400.57742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C24H37N3O2/c1-24(2,3)23(29)26-16-12-21(13-17-26)27-15-7-10-20(18-27)22(28)25-14-11-19-8-5-4-6-9-19/h4-6,8-9,20-21H,7,10-18H2,1-3H3,(H,25,28)/p+1/t20-/m0/s1