(3-methylphenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium

Systemtic Name: (3-methylphenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Openeye Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-(m-tolylmethyl)ammonium CAS Name: (3-methylphenyl)methyl-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]ammonium IUPAC Name: (3-methylphenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Traditional Name: (3-methylbenzyl)-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]ammonium Formula: C17H30N2+2 MolecularWeight: 262.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCC[NH2+]CC2=CC=CC(=C2)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCC[NH2+]CC2=CC=CC(=C2)C

InChI

InChI=1S/C17H28N2/c1-15-7-5-9-17(13-15)14-18-10-6-12-19-11-4-3-8-16(19)2/h5,7,9,13,16,18H,3-4,6,8,10-12,14H2,1-2H3/p+2/t16-/m0/s1