N-cyclopropyl-3-[1-[(2S)-1-(phenylmethyl)piperidin-1-ium-2-yl]carbonylpiperidin-4-yl]propanamide

Systemtic Name: N-cyclopropyl-3-[1-[(2S)-1-(phenylmethyl)piperidin-1-ium-2-yl]carbonylpiperidin-4-yl]propanamide Openeye Name: 3-[1-[(2S)-1-benzylpiperidin-1-ium-2-carbonyl]-4-piperidyl]-N-cyclopropyl-propanamide CAS Name: N-cyclopropyl-3-[1-[oxo-[(2S)-1-(phenylmethyl)-2-piperidin-1-iumyl]methyl]-4-piperidinyl]propanamide IUPAC Name: 3-[1-[(2S)-1-benzylpiperidin-1-ium-2-carbonyl]piperidin-4-yl]-N-cyclopropylpropanamide Traditional Name: 3-[1-[(2S)-1-benzylpiperidin-1-ium-2-carbonyl]-4-piperidyl]-N-cyclopropyl-propionamide Formula: C24H36N3O2+ MolecularWeight: 398.56154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C(=O)N2CCC(CC2)CCC(=O)NC3CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C(=O)N2CCC(CC2)CCC(=O)NC3CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H35N3O2/c28-23(25-21-10-11-21)12-9-19-13-16-26(17-14-19)24(29)22-8-4-5-15-27(22)18-20-6-2-1-3-7-20/h1-3,6-7,19,21-22H,4-5,8-18H2,(H,25,28)/p+1/t22-/m0/s1