1-(azepan-1-yl)-2-[4-(4-methoxynaphthalen-1-yl)carbonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(4-methoxynaphthalen-1-yl)carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(4-methoxy-1-naphthalenyl)-oxomethyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(4-methoxy-1-naphthoyl)piperazin-1-ium-1-yl]ethanone Formula: C24H32N3O3+ MolecularWeight: 410.52918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C24H31N3O3/c1-30-22-11-10-21(19-8-4-5-9-20(19)22)24(29)27-16-14-25(15-17-27)18-23(28)26-12-6-2-3-7-13-26/h4-5,8-11H,2-3,6-7,12-18H2,1H3/p+1