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

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-3-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]propanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(3-pyrazol-1-ylpropanoyl)-4-piperidyl]propanamide CAS Name: 3-[1-[1-oxo-3-(1-pyrazolyl)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-pyrazol-1-ylpropanoyl)piperidin-4-yl]propanamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(3-pyrazol-1-ylpropanoyl)-4-piperidyl]propionamide Formula: C25H36N5O2+ MolecularWeight: 438.58564

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)CCC2CCN(CC2)C(=O)CCN3C=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)CCC2CCN(CC2)C(=O)CCN3C=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C25H35N5O2/c31-24(27-23-11-15-28(20-23)19-22-5-2-1-3-6-22)8-7-21-9-16-29(17-10-21)25(32)12-18-30-14-4-13-26-30/h1-6,13-14,21,23H,7-12,15-20H2,(H,27,31)/p+1/t23-/m0/s1