(4-methyl-1,4-diazepan-4-ium-1-yl)-(3-phenoxyphenyl)methanone

Systemtic Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(3-phenoxyphenyl)methanone Openeye Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(3-phenoxyphenyl)methanone CAS Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(3-phenoxyphenyl)methanone IUPAC Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(3-phenoxyphenyl)methanone Traditional Name: (4-methyl-1,4-diazepan-4-ium-1-yl)-(3-phenoxyphenyl)methanone Formula: C19H23N2O2+ MolecularWeight: 311.39812

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O2/c1-20-11-6-12-21(14-13-20)19(22)16-7-5-10-18(15-16)23-17-8-3-2-4-9-17/h2-5,7-10,15H,6,11-14H2,1H3/p+1