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

Systemtic Name: 4-[2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxy-phenyl]carbonyl-1,4-diazepane-1-carbaldehyde Openeye Name: 4-[2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxy-benzoyl]-1,4-diazepane-1-carbaldehyde CAS Name: 4-[[2-[(1-cyclopentyl-4-piperidin-1-iumyl)oxy]-5-methoxyphenyl]-oxomethyl]-1,4-diazepane-1-carboxaldehyde IUPAC Name: 4-[2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxybenzoyl]-1,4-diazepane-1-carbaldehyde Traditional Name: 4-[2-(1-cyclopentylpiperidin-1-ium-4-yl)oxy-5-methoxy-benzoyl]-1,4-diazepane-1-carbaldehyde Formula: C24H36N3O4+ MolecularWeight: 430.56034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC2CC[NH+](CC2)C3CCCC3)C(=O)N4CCCN(CC4)C=O

Isomeric SMILES

COC1=CC(=C(C=C1)OC2CC[NH+](CC2)C3CCCC3)C(=O)N4CCCN(CC4)C=O

InChI

InChI=1S/C24H35N3O4/c1-30-21-7-8-23(31-20-9-13-26(14-10-20)19-5-2-3-6-19)22(17-21)24(29)27-12-4-11-25(18-28)15-16-27/h7-8,17-20H,2-6,9-16H2,1H3/p+1