(3,5-dimethoxyphenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3,5-dimethoxyphenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3,5-dimethoxyphenyl)methanone CAS Name: (3,5-dimethoxyphenyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3,5-dimethoxyphenyl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3,5-dimethoxyphenyl)methanone Formula: C20H25N2O3+ MolecularWeight: 341.4241

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C20H24N2O3/c1-24-18-12-17(13-19(14-18)25-2)20(23)22-10-8-21(9-11-22)15-16-6-4-3-5-7-16/h3-7,12-14H,8-11,15H2,1-2H3/p+1