(2R)-2-(azepan-1-ium-1-yl)-2-phenyl-1-piperazin-1-yl-ethanone

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-2-phenyl-1-piperazin-1-yl-ethanone Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-2-phenyl-1-piperazin-1-yl-ethanone CAS Name: (2R)-2-(1-azepan-1-iumyl)-2-phenyl-1-(1-piperazinyl)ethanone IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-2-phenyl-1-piperazin-1-ylethanone Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-2-phenyl-1-piperazino-ethanone Formula: C18H28N3O+ MolecularWeight: 302.43442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(C2=CC=CC=C2)C(=O)N3CCNCC3

Isomeric SMILES

C1CCC[NH+](CC1)[C@H](C2=CC=CC=C2)C(=O)N3CCNCC3

InChI

InChI=1S/C18H27N3O/c22-18(21-14-10-19-11-15-21)17(16-8-4-3-5-9-16)20-12-6-1-2-7-13-20/h3-5,8-9,17,19H,1-2,6-7,10-15H2/p+1/t17-/m1/s1