3-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanoyl-phenyl-amino]propanamide

Systemtic Name: 3-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetyl]anilino)propanamide CAS Name: 3-(N-[2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(N-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetyl]anilino)propanamide Traditional Name: 3-(N-[2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]acetyl]anilino)propionamide Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3/c1-30-21-13-11-19(12-14-21)22-10-6-3-7-16-26(22)18-24(29)27(17-15-23(25)28)20-8-4-2-5-9-20/h2,4-5,8-9,11-14,22H,3,6-7,10,15-18H2,1H3,(H2,25,28)/p+1/t22-/m1/s1