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

Systemtic Name: 2-[4-(3-phenylimidazol-4-yl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[oxo-(3-phenyl-4-imidazolyl)methyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(3-phenylimidazole-4-carbonyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C20H26N5O2+ MolecularWeight: 368.45274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CN=CN3C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CN=CN3C4=CC=CC=C4

InChI

InChI=1S/C20H25N5O2/c26-19(23-8-4-5-9-23)15-22-10-12-24(13-11-22)20(27)18-14-21-16-25(18)17-6-2-1-3-7-17/h1-3,6-7,14,16H,4-5,8-13,15H2/p+1