2-[4-(3-phenylmethoxyphenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(3-phenylmethoxyphenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(3-benzyloxybenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[oxo-(3-phenylmethoxyphenyl)methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(3-phenylmethoxybenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(3-benzoxybenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H29N3O3/c28-23(26-11-4-5-12-26)18-25-13-15-27(16-14-25)24(29)21-9-6-10-22(17-21)30-19-20-7-2-1-3-8-20/h1-3,6-10,17H,4-5,11-16,18-19H2/p+1