(3R)-3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-[(2-methylphenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-[(2-methylphenyl)methyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(azepan-1-yl)-2-oxo-ethyl]-4-(o-tolylmethyl)piperazin-4-ium-2-one CAS Name: (3R)-3-[2-(1-azepanyl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(azepan-1-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(azepan-1-yl)-2-keto-ethyl]-4-(2-methylbenzyl)piperazin-4-ium-2-one Formula: C20H30N3O2+ MolecularWeight: 344.4711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCNC(=O)C2CC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCNC(=O)[C@H]2CC(=O)N3CCCCCC3

InChI

InChI=1S/C20H29N3O2/c1-16-8-4-5-9-17(16)15-23-13-10-21-20(25)18(23)14-19(24)22-11-6-2-3-7-12-22/h4-5,8-9,18H,2-3,6-7,10-15H2,1H3,(H,21,25)/p+1/t18-/m1/s1