[(4S)-2,2-dimethyl-4-(pyrrolidin-1-ium-1-ylmethyl)oxan-4-yl]methyl-(phenylmethyl)azanium

Systemtic Name: [(4S)-2,2-dimethyl-4-(pyrrolidin-1-ium-1-ylmethyl)oxan-4-yl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[(4S)-2,2-dimethyl-4-(pyrrolidin-1-ium-1-ylmethyl)tetrahydropyran-4-yl]methyl]ammonium CAS Name: [(4S)-2,2-dimethyl-4-(1-pyrrolidin-1-iumylmethyl)-4-oxanyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[(4S)-2,2-dimethyl-4-(pyrrolidin-1-ium-1-ylmethyl)oxan-4-yl]methyl]azanium Traditional Name: benzyl-[[(4S)-2,2-dimethyl-4-(pyrrolidin-1-ium-1-ylmethyl)tetrahydropyran-4-yl]methyl]ammonium Formula: C20H34N2O+2 MolecularWeight: 318.49676

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)(C[NH2+]CC2=CC=CC=C2)C[NH+]3CCCC3)C

Isomeric SMILES

CC1(C[C@@](CCO1)(C[NH2+]CC2=CC=CC=C2)C[NH+]3CCCC3)C

InChI

InChI=1S/C20H32N2O/c1-19(2)15-20(10-13-23-19,17-22-11-6-7-12-22)16-21-14-18-8-4-3-5-9-18/h3-5,8-9,21H,6-7,10-17H2,1-2H3/p+2/t20-/m0/s1