1-[(2S)-5-(3-methoxyphenyl)-5-methyl-hexan-2-yl]piperazin-4-ium

Systemtic Name: 1-[(2S)-5-(3-methoxyphenyl)-5-methyl-hexan-2-yl]piperazin-4-ium Openeye Name: 1-[(1S)-4-(3-methoxyphenyl)-1,4-dimethyl-pentyl]piperazin-4-ium CAS Name: 1-[(2S)-5-(3-methoxyphenyl)-5-methylhexan-2-yl]piperazin-4-ium IUPAC Name: 1-[(2S)-5-(3-methoxyphenyl)-5-methylhexan-2-yl]piperazin-4-ium Traditional Name: 1-[(1S)-4-(3-methoxyphenyl)-1,4-dimethyl-pentyl]piperazin-4-ium Formula: C18H31N2O+ MolecularWeight: 291.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C)(C)C1=CC(=CC=C1)OC)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](CCC(C)(C)C1=CC(=CC=C1)OC)N2CC[NH2+]CC2

InChI

InChI=1S/C18H30N2O/c1-15(20-12-10-19-11-13-20)8-9-18(2,3)16-6-5-7-17(14-16)21-4/h5-7,14-15,19H,8-13H2,1-4H3/p+1/t15-/m0/s1