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

Systemtic Name: 1-[4-[(2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[(2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[(2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[(2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-methylbutan-1-one Traditional Name: 3-methyl-1-(4-o-anisylpiperazin-4-ium-1-yl)butan-1-one Formula: C17H27N2O2+ MolecularWeight: 291.40848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2/c1-14(2)12-17(20)19-10-8-18(9-11-19)13-15-6-4-5-7-16(15)21-3/h4-7,14H,8-13H2,1-3H3/p+1