1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[(2,3-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methylbutan-1-one Traditional Name: 3-methyl-1-(4-o-veratrylpiperazin-4-ium-1-yl)butan-1-one Formula: C18H29N2O3+ MolecularWeight: 321.43446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC[NH+](CC1)CC2=C(C(=CC=C2)OC)OC

Isomeric SMILES

CC(C)CC(=O)N1CC[NH+](CC1)CC2=C(C(=CC=C2)OC)OC

InChI

InChI=1S/C18H28N2O3/c1-14(2)12-17(21)20-10-8-19(9-11-20)13-15-6-5-7-16(22-3)18(15)23-4/h5-7,14H,8-13H2,1-4H3/p+1