1-[(2-methylphenyl)methyl]-4-pentan-3-yl-piperazine-1,4-diium

Systemtic Name: 1-[(2-methylphenyl)methyl]-4-pentan-3-yl-piperazine-1,4-diium Openeye Name: 1-(1-ethylpropyl)-4-(o-tolylmethyl)piperazine-1,4-diium CAS Name: 1-[(2-methylphenyl)methyl]-4-pentan-3-ylpiperazine-1,4-diium IUPAC Name: 1-[(2-methylphenyl)methyl]-4-pentan-3-ylpiperazine-1,4-diium Traditional Name: 1-(1-ethylpropyl)-4-(2-methylbenzyl)piperazine-1,4-diium Formula: C17H30N2+2 MolecularWeight: 262.4335

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH+]1CC[NH+](CC1)CC2=CC=CC=C2C

Isomeric SMILES

CCC(CC)[NH+]1CC[NH+](CC1)CC2=CC=CC=C2C

InChI

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