2H-chromen-3-yl-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone

Systemtic Name: 2H-chromen-3-yl-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Openeye Name: 2H-chromen-3-yl-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone CAS Name: 2H-1-benzopyran-3-yl-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone IUPAC Name: 2H-chromen-3-yl-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Traditional Name: 2H-chromen-3-yl-(4-methyl-1,4-diazepan-4-ium-1-yl)methanone Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=CC3=CC=CC=C3OC2

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=CC3=CC=CC=C3OC2

InChI

InChI=1S/C16H20N2O2/c1-17-7-4-8-18(10-9-17)16(19)14-11-13-5-2-3-6-15(13)20-12-14/h2-3,5-6,11H,4,7-10,12H2,1H3/p+1