[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxy-5-methyl-phenyl)methanone

Systemtic Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxy-5-methyl-phenyl)methanone Openeye Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxy-5-methyl-phenyl)methanone CAS Name: [4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-(2-methoxy-5-methylphenyl)methanone IUPAC Name: [4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(2-methoxy-5-methylphenyl)methanone Traditional Name: (2-methoxy-5-methyl-phenyl)-(4-veratrylpiperazin-4-ium-1-yl)methanone Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H28N2O4/c1-16-5-7-19(26-2)18(13-16)22(25)24-11-9-23(10-12-24)15-17-6-8-20(27-3)21(14-17)28-4/h5-8,13-14H,9-12,15H2,1-4H3/p+1