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

Systemtic Name: 1-[(3-methylphenyl)methyl]-4-piperidin-1-ium-1-yl-piperidin-1-ium Openeye Name: 1-(m-tolylmethyl)-4-piperidin-1-ium-1-yl-piperidin-1-ium CAS Name: 1-[(3-methylphenyl)methyl]-4-(1-piperidin-1-iumyl)piperidin-1-ium IUPAC Name: 1-[(3-methylphenyl)methyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium Traditional Name: 1-(3-methylbenzyl)-4-piperidin-1-ium-1-yl-piperidin-1-ium Formula: C18H30N2+2 MolecularWeight: 274.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)[NH+]3CCCCC3

InChI

InChI=1S/C18H28N2/c1-16-6-5-7-17(14-16)15-19-12-8-18(9-13-19)20-10-3-2-4-11-20/h5-7,14,18H,2-4,8-13,15H2,1H3/p+2