1-[(4-propan-2-ylphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[(4-propan-2-ylphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(4-isopropylphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(4-propan-2-ylphenyl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(4-propan-2-ylphenyl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-(4-isopropylbenzyl)-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C19H27N3+2 MolecularWeight: 297.43778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H25N3/c1-16(2)18-8-6-17(7-9-18)15-21-11-13-22(14-12-21)19-5-3-4-10-20-19/h3-10,16H,11-15H2,1-2H3/p+2