4-[5-chloranyl-2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-phenyl]carbonyl-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-[5-chloranyl-2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-phenyl]carbonyl-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[5-chloro-2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-benzoyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[[5-chloro-2-[(1-cyclopentyl-4-piperidin-1-iumyl)oxy]phenyl]-oxomethyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[5-chloro-2-(1-cyclopentylpiperidin-1-ium-4-yl)oxybenzoyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[5-chloro-2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-benzoyl]-1,4-diazepane-1-carbaldehyde Formula: C23H33ClN3O3+ MolecularWeight: 434.97942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCC(CC2)OC3=C(C=C(C=C3)Cl)C(=O)N4CCCN(CC4)C=O

Isomeric SMILES

C1CCC(C1)[NH+]2CCC(CC2)OC3=C(C=C(C=C3)Cl)C(=O)N4CCCN(CC4)C=O

InChI

InChI=1S/C23H32ClN3O3/c24-18-6-7-22(30-20-8-12-26(13-9-20)19-4-1-2-5-19)21(16-18)23(29)27-11-3-10-25(17-28)14-15-27/h6-7,16-17,19-20H,1-5,8-15H2/p+1