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

Systemtic Name: (3S)-1-(1-cyclopropylcarbonylpiperidin-4-yl)-N-ethyl-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-[1-(cyclopropanecarbonyl)-4-piperidyl]-N-ethyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-[cyclopropyl(oxo)methyl]-4-piperidinyl]-N-ethyl-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-ethylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-1-[1-(cyclopropanecarbonyl)-4-piperidyl]-N-ethyl-piperidin-1-ium-3-carboxamide Formula: C24H36N3O2+ MolecularWeight: 398.56154

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C2CCC[NH+](C2)C3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)[C@H]2CCC[NH+](C2)C3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C24H35N3O2/c1-2-25(17-19-7-4-3-5-8-19)24(29)21-9-6-14-27(18-21)22-12-15-26(16-13-22)23(28)20-10-11-20/h3-5,7-8,20-22H,2,6,9-18H2,1H3/p+1/t21-/m0/s1