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

Systemtic Name: 1-[(4-ethylphenyl)methyl]-4-propan-2-yl-piperazine-1,4-diium Openeye Name: 1-[(4-ethylphenyl)methyl]-4-isopropyl-piperazine-1,4-diium CAS Name: 1-[(4-ethylphenyl)methyl]-4-propan-2-ylpiperazine-1,4-diium IUPAC Name: 1-[(4-ethylphenyl)methyl]-4-propan-2-ylpiperazine-1,4-diium Traditional Name: 1-(4-ethylbenzyl)-4-isopropyl-piperazine-1,4-diium Formula: C16H28N2+2 MolecularWeight: 248.40692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2/c1-4-15-5-7-16(8-6-15)13-17-9-11-18(12-10-17)14(2)3/h5-8,14H,4,9-13H2,1-3H3/p+2