[(1R)-2-azaniumyl-1-(3-ethoxyphenyl)ethyl]-methyl-(1-methylpiperidin-4-yl)azanium

Systemtic Name: [(1R)-2-azaniumyl-1-(3-ethoxyphenyl)ethyl]-methyl-(1-methylpiperidin-4-yl)azanium Openeye Name: [(1R)-2-azaniumyl-1-(3-ethoxyphenyl)ethyl]-methyl-(1-methyl-4-piperidyl)ammonium CAS Name: [(1R)-2-ammonio-1-(3-ethoxyphenyl)ethyl]-methyl-(1-methyl-4-piperidinyl)ammonium IUPAC Name: [(1R)-2-azaniumyl-1-(3-ethoxyphenyl)ethyl]-methyl-(1-methylpiperidin-4-yl)azanium Traditional Name: [(1R)-2-ammonio-1-m-phenetyl-ethyl]-methyl-(1-methyl-4-piperidyl)ammonium Formula: C17H31N3O+2 MolecularWeight: 293.44754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C[NH3+])[NH+](C)C2CCN(CC2)C

Isomeric SMILES

CCOC1=CC=CC(=C1)[C@H](C[NH3+])[NH+](C)C2CCN(CC2)C

InChI

InChI=1S/C17H29N3O/c1-4-21-16-7-5-6-14(12-16)17(13-18)20(3)15-8-10-19(2)11-9-15/h5-7,12,15,17H,4,8-11,13,18H2,1-3H3/p+2/t17-/m0/s1