1-[(2,5-dimethylphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-[(2,5-dimethylphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[(2,5-dimethylphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[(2,5-dimethylphenyl)methyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[(2,5-dimethylphenyl)methyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(2,5-dimethylbenzyl)-4-pyridin-1-ium-2-yl-piperazine Formula: C18H24N3+ MolecularWeight: 282.40326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H23N3/c1-15-6-7-16(2)17(13-15)14-20-9-11-21(12-10-20)18-5-3-4-8-19-18/h3-8,13H,9-12,14H2,1-2H3/p+1