N-cyclopropyl-3-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: N-cyclopropyl-3-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-cyclopropyl-3-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-cyclopropyl-3-[[2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: N-cyclopropyl-3-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-cyclopropyl-3-[[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetyl]amino]benzamide Formula: C25H32N3O3+ MolecularWeight: 422.53988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC(=O)NC3=CC=CC(=C3)C(=O)NC4CC4

InChI

InChI=1S/C25H31N3O3/c1-31-22-13-9-18(10-14-22)23-8-3-2-4-15-28(23)17-24(29)26-21-7-5-6-19(16-21)25(30)27-20-11-12-20/h5-7,9-10,13-14,16,20,23H,2-4,8,11-12,15,17H2,1H3,(H,26,29)(H,27,30)/p+1/t23-/m1/s1