1-(azepan-1-yl)-2-[4-[(6-chloranyl-2H-chromen-3-yl)carbonyl]piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[(6-chloranyl-2H-chromen-3-yl)carbonyl]piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(6-chloro-2H-1-benzopyran-3-yl)-oxomethyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(6-chloro-2H-chromene-3-carbonyl)piperazin-1-ium-1-yl]ethanone Formula: C22H29ClN3O3+ MolecularWeight: 418.93696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C22H28ClN3O3/c23-19-5-6-20-17(14-19)13-18(16-29-20)22(28)26-11-9-24(10-12-26)15-21(27)25-7-3-1-2-4-8-25/h5-6,13-14H,1-4,7-12,15-16H2/p+1