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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C(=O)N2CCC(CC2)[NH+]3CCCC(C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)C(=O)N2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H35N3O2/c28-23(25-17-19-7-2-1-3-8-19)21-11-6-14-27(18-21)22-12-15-26(16-13-22)24(29)20-9-4-5-10-20/h1-3,7-8,20-22H,4-6,9-18H2,(H,25,28)/p+1/t21-/m0/s1