1-[4-(2,3,4-trimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]cyclopentane-1-carbonitrile

Systemtic Name: 1-[4-(2,3,4-trimethoxyphenyl)carbonylpiperazin-1-ium-1-yl]cyclopentane-1-carbonitrile Openeye Name: 1-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-ium-1-yl]cyclopentanecarbonitrile CAS Name: 1-[4-[oxo-(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-1-iumyl]-1-cyclopentanecarbonitrile IUPAC Name: 1-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-ium-1-yl]cyclopentane-1-carbonitrile Traditional Name: 1-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-ium-1-yl]cyclopentanecarbonitrile Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)N2CC[NH+](CC2)C3(CCCC3)C#N)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)N2CC[NH+](CC2)C3(CCCC3)C#N)OC)OC

InChI

InChI=1S/C20H27N3O4/c1-25-16-7-6-15(17(26-2)18(16)27-3)19(24)22-10-12-23(13-11-22)20(14-21)8-4-5-9-20/h6-7H,4-5,8-13H2,1-3H3/p+1