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

Systemtic Name: 4-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 4-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 4-[[2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: 4-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetyl]amino]benzamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C22H27N3O3/c1-28-19-12-8-16(9-13-19)20-5-3-2-4-14-25(20)15-21(26)24-18-10-6-17(7-11-18)22(23)27/h6-13,20H,2-5,14-15H2,1H3,(H2,23,27)(H,24,26)/p+1/t20-/m1/s1