1-[2-[(4S)-2,2-dimethyl-4-(phenylmethyl)oxan-4-yl]ethyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[2-[(4S)-2,2-dimethyl-4-(phenylmethyl)oxan-4-yl]ethyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[2-[(4S)-4-benzyl-2,2-dimethyl-tetrahydropyran-4-yl]ethyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[2-[(4S)-2,2-dimethyl-4-(phenylmethyl)-4-oxanyl]ethyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[2-[(4S)-4-benzyl-2,2-dimethyloxan-4-yl]ethyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[2-[(4S)-4-benzyl-2,2-dimethyl-tetrahydropyran-4-yl]ethyl]-4-methyl-piperazine-1,4-diium Formula: C21H36N2O+2 MolecularWeight: 332.52334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1(C[C@](CCO1)(CC[NH+]2CC[NH+](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+2/t21-/m0/s1