1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one

Systemtic Name: 1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one Openeye Name: 1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one CAS Name: 1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-3-(1-phenyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one Traditional Name: 1-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CCC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H29N5O2/c28-21(9-8-19-16-23-27(17-19)20-6-2-1-3-7-20)26-14-12-24(13-15-26)18-22(29)25-10-4-5-11-25/h1-3,6-7,16-17H,4-5,8-15,18H2/p+1