N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-3-[1-(2-pyrazol-1-ylethanoyl)piperidin-4-yl]propanamide

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-3-[1-(2-pyrazol-1-ylethanoyl)piperidin-4-yl]propanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(2-pyrazol-1-ylacetyl)-4-piperidyl]propanamide CAS Name: 3-[1-[1-oxo-2-(1-pyrazolyl)ethyl]-4-piperidinyl]-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]propanamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(2-pyrazol-1-ylacetyl)piperidin-4-yl]propanamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(2-pyrazol-1-ylacetyl)-4-piperidyl]propionamide Formula: C24H34N5O2+ MolecularWeight: 424.55906

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)CCC2CCN(CC2)C(=O)CN3C=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)CCC2CCN(CC2)C(=O)CN3C=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C24H33N5O2/c30-23(26-22-11-14-27(18-22)17-21-5-2-1-3-6-21)8-7-20-9-15-28(16-10-20)24(31)19-29-13-4-12-25-29/h1-6,12-13,20,22H,7-11,14-19H2,(H,26,30)/p+1/t22-/m0/s1