N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-3-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]propanamide

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-3-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]propanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-[3-(3-pyridyl)propanoyl]-4-piperidyl]propanamide CAS Name: 3-[1-[1-oxo-3-(3-pyridinyl)propyl]-4-piperidinyl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]propanamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]propanamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-[3-(3-pyridyl)propanoyl]-4-piperidyl]propionamide Formula: C27H37N4O2+ MolecularWeight: 449.60828

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)CCC2CCN(CC2)C(=O)CCC3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)CCC2CCN(CC2)C(=O)CCC3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H36N4O2/c32-26(29-25-14-16-30(21-25)20-24-5-2-1-3-6-24)10-8-22-12-17-31(18-13-22)27(33)11-9-23-7-4-15-28-19-23/h1-7,15,19,22,25H,8-14,16-18,20-21H2,(H,29,32)/p+1/t25-/m0/s1