(2S)-2-(3-ethoxyphenyl)-1-methyl-piperazine-1,4-diium

Systemtic Name: (2S)-2-(3-ethoxyphenyl)-1-methyl-piperazine-1,4-diium Openeye Name: (2S)-2-(3-ethoxyphenyl)-1-methyl-piperazine-1,4-diium CAS Name: (2S)-2-(3-ethoxyphenyl)-1-methylpiperazine-1,4-diium IUPAC Name: (2S)-2-(3-ethoxyphenyl)-1-methylpiperazine-1,4-diium Traditional Name: (2S)-1-methyl-2-m-phenetyl-piperazine-1,4-diium Formula: C13H22N2O+2 MolecularWeight: 222.32658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2C[NH2+]CC[NH+]2C

Isomeric SMILES

CCOC1=CC=CC(=C1)[C@H]2C[NH2+]CC[NH+]2C

InChI

InChI=1S/C13H20N2O/c1-3-16-12-6-4-5-11(9-12)13-10-14-7-8-15(13)2/h4-6,9,13-14H,3,7-8,10H2,1-2H3/p+2/t13-/m1/s1