[(4S)-2,2-dimethyl-4-[[(4-propan-2-yloxyphenyl)methylazaniumyl]methyl]oxan-4-yl]methyl-dimethyl-azanium

Systemtic Name: [(4S)-2,2-dimethyl-4-[[(4-propan-2-yloxyphenyl)methylazaniumyl]methyl]oxan-4-yl]methyl-dimethyl-azanium Openeye Name: [(4S)-4-[[(4-isopropoxyphenyl)methylammonio]methyl]-2,2-dimethyl-tetrahydropyran-4-yl]methyl-dimethyl-ammonium CAS Name: [(4S)-2,2-dimethyl-4-[[(4-propan-2-yloxyphenyl)methylammonio]methyl]-4-oxanyl]methyl-dimethylammonium IUPAC Name: [(4S)-2,2-dimethyl-4-[[(4-propan-2-yloxyphenyl)methylazaniumyl]methyl]oxan-4-yl]methyl-dimethylazanium Traditional Name: [(4S)-4-[[(4-isopropoxybenzyl)ammonio]methyl]-2,2-dimethyl-tetrahydropyran-4-yl]methyl-dimethyl-ammonium Formula: C21H38N2O2+2 MolecularWeight: 350.53862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C[NH2+]CC2(CCOC(C2)(C)C)C[NH+](C)C

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C[NH2+]C[C@@]2(CCOC(C2)(C)C)C[NH+](C)C

InChI

InChI=1S/C21H36N2O2/c1-17(2)25-19-9-7-18(8-10-19)13-22-15-21(16-23(5)6)11-12-24-20(3,4)14-21/h7-10,17,22H,11-16H2,1-6H3/p+2/t21-/m0/s1