ethyl-[(4R)-7-oxidanylidene-1-(phenylmethyl)azepan-4-yl]-(phenylmethyl)azanium

Systemtic Name: ethyl-[(4R)-7-oxidanylidene-1-(phenylmethyl)azepan-4-yl]-(phenylmethyl)azanium Openeye Name: benzyl-[(4R)-1-benzyl-7-oxo-azepan-4-yl]-ethyl-ammonium CAS Name: ethyl-[(4R)-7-oxo-1-(phenylmethyl)-4-azepanyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(4R)-1-benzyl-7-oxoazepan-4-yl]-ethylazanium Traditional Name: benzyl-[(4R)-1-benzyl-7-keto-azepan-4-yl]-ethyl-ammonium Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)C2CCC(=O)N(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)[C@@H]2CCC(=O)N(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O/c1-2-23(17-19-9-5-3-6-10-19)21-13-14-22(25)24(16-15-21)18-20-11-7-4-8-12-20/h3-12,21H,2,13-18H2,1H3/p+1/t21-/m1/s1