1-[(2S)-butan-2-yl]-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(2S)-butan-2-yl]-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-methoxyphenyl)methyl]-4-[(1S)-1-methylpropyl]piperazine-1,4-diium CAS Name: 1-[(2S)-butan-2-yl]-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(2S)-butan-2-yl]-4-[(3-methoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-m-anisyl-4-[(1S)-1-methylpropyl]piperazine-1,4-diium Formula: C16H28N2O+2 MolecularWeight: 264.40632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CC[NH+](CC1)CC2=CC(=CC=C2)OC

Isomeric SMILES

CC[C@H](C)[NH+]1CC[NH+](CC1)CC2=CC(=CC=C2)OC

InChI

InChI=1S/C16H26N2O/c1-4-14(2)18-10-8-17(9-11-18)13-15-6-5-7-16(12-15)19-3/h5-7,12,14H,4,8-11,13H2,1-3H3/p+2/t14-/m0/s1