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

Systemtic Name: (3S)-1-[1-(2-cyclopropylethanoyl)piperidin-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-[1-(2-cyclopropylacetyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(2-cyclopropyl-1-oxoethyl)-4-piperidinyl]-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-[1-(2-cyclopropylacetyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-1-[1-(2-cyclopropylacetyl)-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C(=O)CC3CC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C(=O)CC3CC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H33N3O2/c27-22(15-18-8-9-18)25-13-10-21(11-14-25)26-12-4-7-20(17-26)23(28)24-16-19-5-2-1-3-6-19/h1-3,5-6,18,20-21H,4,7-17H2,(H,24,28)/p+1/t20-/m0/s1