4-(2-azanyl-2-oxidanylidene-ethoxy)-N-[(3R,4R)-1-[(3-methoxyphenyl)methyl]-4-oxidanyl-azepan-1-ium-3-yl]benzamide

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethoxy)-N-[(3R,4R)-1-[(3-methoxyphenyl)methyl]-4-oxidanyl-azepan-1-ium-3-yl]benzamide Openeye Name: 4-(2-amino-2-oxo-ethoxy)-N-[(3R,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]azepan-1-ium-3-yl]benzamide CAS Name: 4-(2-amino-2-oxoethoxy)-N-[(3R,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]-3-azepan-1-iumyl]benzamide IUPAC Name: 4-(2-amino-2-oxoethoxy)-N-[(3R,4R)-4-hydroxy-1-[(3-methoxyphenyl)methyl]azepan-1-ium-3-yl]benzamide Traditional Name: 4-(2-amino-2-keto-ethoxy)-N-[(3R,4R)-4-hydroxy-1-m-anisyl-azepan-1-ium-3-yl]benzamide Formula: C23H30N3O5+ MolecularWeight: 428.5014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCCC(C(C2)NC(=O)C3=CC=C(C=C3)OCC(=O)N)O

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCC[C@H]([C@@H](C2)NC(=O)C3=CC=C(C=C3)OCC(=O)N)O

InChI

InChI=1S/C23H29N3O5/c1-30-19-5-2-4-16(12-19)13-26-11-3-6-21(27)20(14-26)25-23(29)17-7-9-18(10-8-17)31-15-22(24)28/h2,4-5,7-10,12,20-21,27H,3,6,11,13-15H2,1H3,(H2,24,28)(H,25,29)/p+1/t20-,21-/m1/s1