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

Systemtic Name: 1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-4-methyl-piperazin-1-ium Openeye Name: 1-[(1S)-3-(4-methoxyphenyl)-1-methyl-propyl]-4-methyl-piperazin-1-ium CAS Name: 1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-4-methylpiperazin-1-ium IUPAC Name: 1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-4-methylpiperazin-1-ium Traditional Name: 1-[(1S)-3-(4-methoxyphenyl)-1-methyl-propyl]-4-methyl-piperazin-1-ium Formula: C16H27N2O+ MolecularWeight: 263.39838

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C

Isomeric SMILES

C[C@@H](CCC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)C

InChI

InChI=1S/C16H26N2O/c1-14(18-12-10-17(2)11-13-18)4-5-15-6-8-16(19-3)9-7-15/h6-9,14H,4-5,10-13H2,1-3H3/p+1/t14-/m0/s1