4-[3-chloranyl-4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-phenyl]carbonyl-1,4-diazepane-1-carbaldehyde

Systemtic Name: 4-[3-chloranyl-4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-phenyl]carbonyl-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxy-benzoyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[[3-chloro-4-[[1-(2,2-dimethylpropyl)-4-piperidin-1-iumyl]oxy]phenyl]-oxomethyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[3-chloro-4-[1-(2,2-dimethylpropyl)piperidin-1-ium-4-yl]oxybenzoyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[3-chloro-4-(1-neopentylpiperidin-1-ium-4-yl)oxy-benzoyl]-1,4-diazepane-1-carbaldehyde Formula: C23H35ClN3O3+ MolecularWeight: 436.9953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[NH+]1CCC(CC1)OC2=C(C=C(C=C2)C(=O)N3CCCN(CC3)C=O)Cl

Isomeric SMILES

CC(C)(C)C[NH+]1CCC(CC1)OC2=C(C=C(C=C2)C(=O)N3CCCN(CC3)C=O)Cl

InChI

InChI=1S/C23H34ClN3O3/c1-23(2,3)16-25-11-7-19(8-12-25)30-21-6-5-18(15-20(21)24)22(29)27-10-4-9-26(17-28)13-14-27/h5-6,15,17,19H,4,7-14,16H2,1-3H3/p+1