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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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