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

Systemtic Name: (3S)-1-[1-(2-cyclopropylethanoyl)piperidin-4-yl]-N-phenethyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-(2-cyclopropylacetyl)-4-piperidyl]-N-phenethyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(2-cyclopropyl-1-oxoethyl)-4-piperidinyl]-N-phenethyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(2-cyclopropylacetyl)piperidin-4-yl]-N-phenethylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-(2-cyclopropylacetyl)-4-piperidyl]-N-phenethyl-piperidin-1-ium-3-carboxamide Formula: C24H36N3O2+ MolecularWeight: 398.56154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C(=O)CC3CC3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C(=O)CC3CC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C24H35N3O2/c28-23(17-20-8-9-20)26-15-11-22(12-16-26)27-14-4-7-21(18-27)24(29)25-13-10-19-5-2-1-3-6-19/h1-3,5-6,20-22H,4,7-18H2,(H,25,29)/p+1/t21-/m0/s1