(3S)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-(3-methylbutanoyl)piperidin-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-[1-(3-methylbutanoyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(3-methyl-1-oxobutyl)-4-piperidinyl]-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-[1-(3-methylbutanoyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-1-(1-isovaleryl-4-piperidyl)piperidin-1-ium-3-carboxamide Formula: C23H36N3O2+ MolecularWeight: 386.55084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C23H35N3O2/c1-18(2)15-22(27)25-13-10-21(11-14-25)26-12-6-9-20(17-26)23(28)24-16-19-7-4-3-5-8-19/h3-5,7-8,18,20-21H,6,9-17H2,1-2H3,(H,24,28)/p+1/t20-/m0/s1