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

Systemtic Name: 1-[4-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[2-(4-methoxyphenyl)-2-oxo-ethyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]-1-piperazin-4-iumyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-4-ium-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[2-keto-2-(4-methoxyphenyl)ethyl]piperazin-4-ium-1-yl]-3-methyl-butan-1-one Formula: C18H27N2O3+ MolecularWeight: 319.41858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3/c1-14(2)12-18(22)20-10-8-19(9-11-20)13-17(21)15-4-6-16(23-3)7-5-15/h4-7,14H,8-13H2,1-3H3/p+1