1-[(2-methylphenyl)methyl]-4-pentan-3-yl-piperazin-4-ium

Systemtic Name: 1-[(2-methylphenyl)methyl]-4-pentan-3-yl-piperazin-4-ium Openeye Name: 1-(1-ethylpropyl)-4-(o-tolylmethyl)piperazin-1-ium CAS Name: 1-[(2-methylphenyl)methyl]-4-pentan-3-ylpiperazin-4-ium IUPAC Name: 1-[(2-methylphenyl)methyl]-4-pentan-3-ylpiperazin-4-ium Traditional Name: 1-(1-ethylpropyl)-4-(2-methylbenzyl)piperazin-1-ium Formula: C17H29N2+ MolecularWeight: 261.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(CC)[NH+]1CCN(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+1