[2-(2-methylphenoxy)pyridin-3-yl]methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [2-(2-methylphenoxy)pyridin-3-yl]methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Openeye Name: (1-isopropylpiperidin-1-ium-4-yl)-[[2-(2-methylphenoxy)-3-pyridyl]methyl]ammonium CAS Name: [2-(2-methylphenoxy)-3-pyridinyl]methyl-(1-propan-2-yl-4-piperidin-1-iumyl)ammonium IUPAC Name: [2-(2-methylphenoxy)pyridin-3-yl]methyl-(1-propan-2-ylpiperidin-1-ium-4-yl)azanium Traditional Name: (1-isopropylpiperidin-1-ium-4-yl)-[[2-(2-methylphenoxy)-3-pyridyl]methyl]ammonium Formula: C21H31N3O+2 MolecularWeight: 341.49034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=C(C=CC=N2)C[NH2+]C3CC[NH+](CC3)C(C)C

Isomeric SMILES

CC1=CC=CC=C1OC2=C(C=CC=N2)C[NH2+]C3CC[NH+](CC3)C(C)C

InChI

InChI=1S/C21H29N3O/c1-16(2)24-13-10-19(11-14-24)23-15-18-8-6-12-22-21(18)25-20-9-5-4-7-17(20)3/h4-9,12,16,19,23H,10-11,13-15H2,1-3H3/p+2