1-(4-phenylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)ethanone

Systemtic Name: 1-(4-phenylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)ethanone Openeye Name: 1-(4-phenylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)ethanone CAS Name: 1-(4-phenylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)ethanone IUPAC Name: 1-(4-phenylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)ethanone Traditional Name: 1-(4-phenylphenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylamino)ethanone Formula: C20H23N2O+ MolecularWeight: 307.40942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

C1CCC(=[NH+]CC1)NCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O/c23-19(15-22-20-9-5-2-6-14-21-20)18-12-10-17(11-13-18)16-7-3-1-4-8-16/h1,3-4,7-8,10-13H,2,5-6,9,14-15H2,(H,21,22)/p+1