2-[4-(5-chloranyl-2-methoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(5-chloranyl-2-methoxy-phenyl)carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(5-chloro-2-methoxy-benzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[(5-chloro-2-methoxyphenyl)-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(5-chloro-2-methoxy-benzoyl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C18H25ClN3O3+ MolecularWeight: 366.8624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)N2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C18H24ClN3O3/c1-25-16-5-4-14(19)12-15(16)18(24)22-10-8-20(9-11-22)13-17(23)21-6-2-3-7-21/h4-5,12H,2-3,6-11,13H2,1H3/p+1