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

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-3-[1-(3-pyrazin-2-ylpropanoyl)piperidin-4-yl]propanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(3-pyrazin-2-ylpropanoyl)-4-piperidyl]propanamide CAS Name: 3-[1-[1-oxo-3-(2-pyrazinyl)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-pyrazin-2-ylpropanoyl)piperidin-4-yl]propanamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-[1-(3-pyrazin-2-ylpropanoyl)-4-piperidyl]propionamide Formula: C26H36N5O2+ MolecularWeight: 450.59634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N5O2/c32-25(29-24-12-15-30(20-24)19-22-4-2-1-3-5-22)8-6-21-10-16-31(17-11-21)26(33)9-7-23-18-27-13-14-28-23/h1-5,13-14,18,21,24H,6-12,15-17,19-20H2,(H,29,32)/p+1/t24-/m0/s1