(3S)-1-[1-(2-ethylbutanoyl)piperidin-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-(2-ethylbutanoyl)piperidin-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-[1-(2-ethylbutanoyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(2-ethyl-1-oxobutyl)-4-piperidinyl]-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-[1-(2-ethylbutanoyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-1-[1-(2-ethylbutanoyl)-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C24H38N3O2+ MolecularWeight: 400.57742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H37N3O2/c1-3-20(4-2)24(29)26-15-12-22(13-16-26)27-14-8-11-21(18-27)23(28)25-17-19-9-6-5-7-10-19/h5-7,9-10,20-22H,3-4,8,11-18H2,1-2H3,(H,25,28)/p+1/t21-/m0/s1