1-naphthalen-2-ylcarbonyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one

Systemtic Name: 1-naphthalen-2-ylcarbonyl-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Openeye Name: 1-(naphthalene-2-carbonyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one CAS Name: 1-[2-naphthalenyl(oxo)methyl]-4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1,4-diazepan-5-one IUPAC Name: 1-(naphthalene-2-carbonyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Traditional Name: 1-(2-naphthoyl)-4-(2-pyrrolidin-1-ium-1-ylethyl)-1,4-diazepan-5-one Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2CCN(CCC2=O)C(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CC[NH+](C1)CCN2CCN(CCC2=O)C(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H27N3O2/c26-21-9-12-25(16-15-24(21)14-13-23-10-3-4-11-23)22(27)20-8-7-18-5-1-2-6-19(18)17-20/h1-2,5-8,17H,3-4,9-16H2/p+1