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

Systemtic Name: [1-[(3-methylphenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]methyl-propyl-azanium Openeye Name: [4-hydroxy-1-(m-tolylmethyl)piperidin-1-ium-4-yl]methyl-propyl-ammonium CAS Name: [4-hydroxy-1-[(3-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl-propylammonium IUPAC Name: [4-hydroxy-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl-propylazanium Traditional Name: [4-hydroxy-1-(3-methylbenzyl)piperidin-1-ium-4-yl]methyl-propyl-ammonium Formula: C17H30N2O+2 MolecularWeight: 278.4329

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH2+]CC1(CC[NH+](CC1)CC2=CC=CC(=C2)C)O

Isomeric SMILES

CCC[NH2+]CC1(CC[NH+](CC1)CC2=CC=CC(=C2)C)O

InChI

InChI=1S/C17H28N2O/c1-3-9-18-14-17(20)7-10-19(11-8-17)13-16-6-4-5-15(2)12-16/h4-6,12,18,20H,3,7-11,13-14H2,1-2H3/p+2