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

Systemtic Name: 3-methyl-1-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[(2,4,5-trimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 3-methyl-1-[4-[(2,4,5-trimethoxyphenyl)methyl]piperazin-4-ium-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-(2,4,5-trimethoxybenzyl)piperazin-4-ium-1-yl]butan-1-one Formula: C19H31N2O4+ MolecularWeight: 351.46044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2OC)OC)OC

Isomeric SMILES

CC(C)CC(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2OC)OC)OC

InChI

InChI=1S/C19H30N2O4/c1-14(2)10-19(22)21-8-6-20(7-9-21)13-15-11-17(24-4)18(25-5)12-16(15)23-3/h11-12,14H,6-10,13H2,1-5H3/p+1