ethyl-[[4-(4-methylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: ethyl-[[4-(4-methylphenyl)carbonyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[[4-(4-methylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[[4-[(4-methylphenyl)-oxomethyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[[4-(4-methylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: ethyl-[(4-p-toluoyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)methyl]-(4-pyridylmethyl)ammonium Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=NC=C1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC[NH+](CC1=CC=NC=C1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H29N3O2/c1-3-28(17-21-10-12-27-13-11-21)18-22-6-9-25-24(16-22)19-29(14-15-31-25)26(30)23-7-4-20(2)5-8-23/h4-13,16H,3,14-15,17-19H2,1-2H3/p+1