1-[2-[(4R)-2,2-dimethyl-4-(phenylmethyl)oxan-4-yl]ethyl]-4-methyl-piperazin-1-ium

Systemtic Name: 1-[2-[(4R)-2,2-dimethyl-4-(phenylmethyl)oxan-4-yl]ethyl]-4-methyl-piperazin-1-ium Openeye Name: 1-[2-[(4R)-4-benzyl-2,2-dimethyl-tetrahydropyran-4-yl]ethyl]-4-methyl-piperazin-1-ium CAS Name: 1-[2-[(4R)-2,2-dimethyl-4-(phenylmethyl)-4-oxanyl]ethyl]-4-methylpiperazin-1-ium IUPAC Name: 1-[2-[(4R)-4-benzyl-2,2-dimethyloxan-4-yl]ethyl]-4-methylpiperazin-1-ium Traditional Name: 1-[2-[(4R)-4-benzyl-2,2-dimethyl-tetrahydropyran-4-yl]ethyl]-4-methyl-piperazin-1-ium Formula: C21H35N2O+ MolecularWeight: 331.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)(CC[NH+]2CCN(CC2)C)CC3=CC=CC=C3)C

Isomeric SMILES

CC1(C[C@@](CCO1)(CC[NH+]2CCN(CC2)C)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H34N2O/c1-20(2)18-21(10-16-24-20,17-19-7-5-4-6-8-19)9-11-23-14-12-22(3)13-15-23/h4-8H,9-18H2,1-3H3/p+1/t21-/m1/s1