1-[(2R)-butan-2-yl]-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-[(2R)-butan-2-yl]-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(4-ethylphenyl)methyl]-4-[(1R)-1-methylpropyl]piperazine-1,4-diium CAS Name: 1-[(2R)-butan-2-yl]-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium IUPAC Name: 1-[(2R)-butan-2-yl]-4-[(4-ethylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-(4-ethylbenzyl)-4-[(1R)-1-methylpropyl]piperazine-1,4-diium Formula: C17H30N2+2 MolecularWeight: 262.4335

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)C(C)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)[C@H](C)CC

InChI

InChI=1S/C17H28N2/c1-4-15(3)19-12-10-18(11-13-19)14-17-8-6-16(5-2)7-9-17/h6-9,15H,4-5,10-14H2,1-3H3/p+2/t15-/m1/s1