1-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]carbonyl-1,4-diazepan-5-one

Systemtic Name: 1-[4-(1-phenethylpiperidin-1-ium-4-yl)oxyphenyl]carbonyl-1,4-diazepan-5-one Openeye Name: 1-[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]-1,4-diazepan-5-one CAS Name: 1-[oxo-[4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]phenyl]methyl]-1,4-diazepan-5-one IUPAC Name: 1-[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]-1,4-diazepan-5-one Traditional Name: 1-[4-(1-phenethylpiperidin-1-ium-4-yl)oxybenzoyl]-1,4-diazepan-5-one Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)N3CCC(=O)NCC3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1OC2=CC=C(C=C2)C(=O)N3CCC(=O)NCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O3/c29-24-13-18-28(19-14-26-24)25(30)21-6-8-22(9-7-21)31-23-11-16-27(17-12-23)15-10-20-4-2-1-3-5-20/h1-9,23H,10-19H2,(H,26,29)/p+1