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

Systemtic Name: (3S)-1-(1-butanoylpiperidin-4-yl)-N-phenethyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-butanoyl-4-piperidyl)-N-phenethyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(1-oxobutyl)-4-piperidinyl]-N-phenethyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-butanoylpiperidin-4-yl)-N-phenethylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-butyryl-4-piperidyl)-N-phenethyl-piperidin-1-ium-3-carboxamide Formula: C23H36N3O2+ MolecularWeight: 386.55084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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