4-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanoylamino]-N,N-dimethyl-benzamide

Systemtic Name: 4-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanoylamino]-N,N-dimethyl-benzamide Openeye Name: 4-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetyl]amino]-N,N-dimethyl-benzamide CAS Name: 4-[[2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]-1-oxoethyl]amino]-N,N-dimethylbenzamide IUPAC Name: 4-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetyl]amino]-N,N-dimethylbenzamide Traditional Name: 4-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetyl]amino]-N,N-dimethyl-benzamide Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCCCCC2C3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)C[NH+]2CCCCC[C@@H]2C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H31N3O3/c1-26(2)24(29)19-8-12-20(13-9-19)25-23(28)17-27-16-6-4-5-7-22(27)18-10-14-21(30-3)15-11-18/h8-15,22H,4-7,16-17H2,1-3H3,(H,25,28)/p+1/t22-/m1/s1