[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl-propyl-azanium

Systemtic Name: [1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl-propyl-azanium Openeye Name: [1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl-propyl-ammonium CAS Name: [1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl-propylammonium IUPAC Name: [1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl-propylazanium Traditional Name: [1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl-propyl-ammonium Formula: C17H30N2+2 MolecularWeight: 262.4335

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC1CC[NH+](CC1)CC2=CC=CC=C2C

Isomeric SMILES

CCC[NH2+]CC1CC[NH+](CC1)CC2=CC=CC=C2C

InChI

InChI=1S/C17H28N2/c1-3-10-18-13-16-8-11-19(12-9-16)14-17-7-5-4-6-15(17)2/h4-7,16,18H,3,8-14H2,1-2H3/p+2