1-methyl-4-[(2R)-2-phenylpropyl]-1,4-diazepane-1,4-diium

Systemtic Name: 1-methyl-4-[(2R)-2-phenylpropyl]-1,4-diazepane-1,4-diium Openeye Name: 1-methyl-4-[(2R)-2-phenylpropyl]-1,4-diazepane-1,4-diium CAS Name: 1-methyl-4-[(2R)-2-phenylpropyl]-1,4-diazepane-1,4-diium IUPAC Name: 1-methyl-4-[(2R)-2-phenylpropyl]-1,4-diazepane-1,4-diium Traditional Name: 1-methyl-4-[(2R)-2-phenylpropyl]-1,4-diazepane-1,4-diium Formula: C15H26N2+2 MolecularWeight: 234.38034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCC[NH+](CC1)C)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C[NH+]1CCC[NH+](CC1)C)C2=CC=CC=C2

InChI

InChI=1S/C15H24N2/c1-14(15-7-4-3-5-8-15)13-17-10-6-9-16(2)11-12-17/h3-5,7-8,14H,6,9-13H2,1-2H3/p+2/t14-/m0/s1