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

Systemtic Name: (4-methylphenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Openeye Name: 3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl-(p-tolylmethyl)ammonium CAS Name: (4-methylphenyl)methyl-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]ammonium IUPAC Name: (4-methylphenyl)methyl-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]azanium Traditional Name: (4-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=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2/c1-15-7-9-17(10-8-15)14-18-11-5-13-19-12-4-3-6-16(19)2/h7-10,16,18H,3-6,11-14H2,1-2H3/p+2/t16-/m0/s1