1-(azepan-1-yl)-2-[4-[5-(2-chlorophenyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[5-(2-chlorophenyl)furan-2-yl]carbonylpiperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[[5-(2-chlorophenyl)-2-furanyl]-oxomethyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[5-(2-chlorophenyl)-2-furoyl]piperazin-1-ium-1-yl]ethanone Formula: C23H29ClN3O3+ MolecularWeight: 430.94766

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(O3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(O3)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H28ClN3O3/c24-19-8-4-3-7-18(19)20-9-10-21(30-20)23(29)27-15-13-25(14-16-27)17-22(28)26-11-5-1-2-6-12-26/h3-4,7-10H,1-2,5-6,11-17H2/p+1