1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]-3-methyl-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)11-18(21)20-9-7-19(8-10-20)13-15-12-16(22-3)5-6-17(15)23-4/h5-6,12,14H,7-11,13H2,1-4H3/p+1