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

Systemtic Name: 1-[(2S)-butan-2-yl]-4-[(3-phenoxyphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(1S)-1-methylpropyl]-4-[(3-phenoxyphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(2S)-butan-2-yl]-4-[(3-phenoxyphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(2S)-butan-2-yl]-4-[(3-phenoxyphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-[(1S)-1-methylpropyl]-4-(3-phenoxybenzyl)piperazine-1,4-diium Formula: C21H30N2O+2 MolecularWeight: 326.4757

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CC[NH+](CC1)CC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)[NH+]1CC[NH+](CC1)CC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H28N2O/c1-3-18(2)23-14-12-22(13-15-23)17-19-8-7-11-21(16-19)24-20-9-5-4-6-10-20/h4-11,16,18H,3,12-15,17H2,1-2H3/p+2/t18-/m0/s1