(3S)-1-(1-butanoylpiperidin-4-yl)-N-(phenylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1-butanoylpiperidin-4-yl)-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-(1-butanoyl-4-piperidyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(1-oxobutyl)-4-piperidinyl]-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-(1-butanoylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-1-(1-butyryl-4-piperidyl)piperidin-1-ium-3-carboxamide Formula: C22H34N3O2+ MolecularWeight: 372.52426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H33N3O2/c1-2-7-21(26)24-14-11-20(12-15-24)25-13-6-10-19(17-25)22(27)23-16-18-8-4-3-5-9-18/h3-5,8-9,19-20H,2,6-7,10-17H2,1H3,(H,23,27)/p+1/t19-/m0/s1