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

Systemtic Name: 1-[(2S)-butan-2-yl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(1S)-1-methylpropyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(2S)-butan-2-yl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(2S)-butan-2-yl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-[(1S)-1-methylpropyl]-4-(2,3,4-trimethoxybenzyl)piperazine-1,4-diium Formula: C18H32N2O3+2 MolecularWeight: 324.45828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O3/c1-6-14(2)20-11-9-19(10-12-20)13-15-7-8-16(21-3)18(23-5)17(15)22-4/h7-8,14H,6,9-13H2,1-5H3/p+2/t14-/m0/s1