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

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-pentan-3-yl-piperazin-4-ium Openeye Name: 1-(1-ethylpropyl)-4-(m-tolylmethyl)piperazin-1-ium CAS Name: 1-[(3-methylphenyl)methyl]-4-pentan-3-ylpiperazin-4-ium IUPAC Name: 1-[(3-methylphenyl)methyl]-4-pentan-3-ylpiperazin-4-ium Traditional Name: 1-(1-ethylpropyl)-4-(3-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(=C2)C

Isomeric SMILES

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

InChI

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