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

Systemtic Name: 1-[(2S)-butan-2-yl]-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[(1S)-1-methylpropyl]piperazine-1,4-diium CAS Name: 1-[(2S)-butan-2-yl]-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(2S)-butan-2-yl]-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(3-ethoxy-4-methoxy-benzyl)-4-[(1S)-1-methylpropyl]piperazine-1,4-diium Formula: C18H32N2O2+2 MolecularWeight: 308.45888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O2/c1-5-15(3)20-11-9-19(10-12-20)14-16-7-8-17(21-4)18(13-16)22-6-2/h7-8,13,15H,5-6,9-12,14H2,1-4H3/p+2/t15-/m0/s1