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

Systemtic Name: [1-[(2-methylphenyl)methyl]-4-oxidanyl-piperidin-1-ium-4-yl]methyl-propan-2-yl-azanium Openeye Name: [4-hydroxy-1-(o-tolylmethyl)piperidin-1-ium-4-yl]methyl-isopropyl-ammonium CAS Name: [4-hydroxy-1-[(2-methylphenyl)methyl]-4-piperidin-1-iumyl]methyl-propan-2-ylammonium IUPAC Name: [4-hydroxy-1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl-propan-2-ylazanium Traditional Name: [4-hydroxy-1-(2-methylbenzyl)piperidin-1-ium-4-yl]methyl-isopropyl-ammonium Formula: C17H30N2O+2 MolecularWeight: 278.4329

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCC(CC2)(C[NH2+]C(C)C)O

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCC(CC2)(C[NH2+]C(C)C)O

InChI

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