(6R)-1-(3-methoxyphenyl)-6-methyl-4-(3-methylbutyl)piperazin-4-ium-2-one

Systemtic Name: (6R)-1-(3-methoxyphenyl)-6-methyl-4-(3-methylbutyl)piperazin-4-ium-2-one Openeye Name: (6R)-4-isopentyl-1-(3-methoxyphenyl)-6-methyl-piperazin-4-ium-2-one CAS Name: (6R)-1-(3-methoxyphenyl)-6-methyl-4-(3-methylbutyl)-2-piperazin-4-iumone IUPAC Name: (6R)-1-(3-methoxyphenyl)-6-methyl-4-(3-methylbutyl)piperazin-4-ium-2-one Traditional Name: (6R)-4-isoamyl-1-(3-methoxyphenyl)-6-methyl-piperazin-4-ium-2-one Formula: C17H27N2O2+ MolecularWeight: 291.40848

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(=O)N1C2=CC(=CC=C2)OC)CCC(C)C

Isomeric SMILES

C[C@@H]1C[NH+](CC(=O)N1C2=CC(=CC=C2)OC)CCC(C)C

InChI

InChI=1S/C17H26N2O2/c1-13(2)8-9-18-11-14(3)19(17(20)12-18)15-6-5-7-16(10-15)21-4/h5-7,10,13-14H,8-9,11-12H2,1-4H3/p+1/t14-/m1/s1