1-(azepan-1-yl)-2-[4-(6-methoxynaphthalen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(6-methoxynaphthalen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(6-methoxynaphthalene-2-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(6-methoxy-2-naphthalenyl)-oxomethyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(6-methoxynaphthalene-2-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(6-methoxy-2-naphthoyl)piperazin-1-ium-1-yl]ethanone Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C24H31N3O3/c1-30-22-9-8-19-16-21(7-6-20(19)17-22)24(29)27-14-12-25(13-15-27)18-23(28)26-10-4-2-3-5-11-26/h6-9,16-17H,2-5,10-15,18H2,1H3/p+1