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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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