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

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethoxy)-N-[(3R,4R)-1-(1H-indol-3-ylmethyl)-4-oxidanyl-azepan-1-ium-3-yl]benzamide Openeye Name: 4-(2-amino-2-oxo-ethoxy)-N-[(3R,4R)-4-hydroxy-1-(1H-indol-3-ylmethyl)azepan-1-ium-3-yl]benzamide CAS Name: 4-(2-amino-2-oxoethoxy)-N-[(3R,4R)-4-hydroxy-1-(1H-indol-3-ylmethyl)-3-azepan-1-iumyl]benzamide IUPAC Name: 4-(2-amino-2-oxoethoxy)-N-[(3R,4R)-4-hydroxy-1-(1H-indol-3-ylmethyl)azepan-1-ium-3-yl]benzamide Traditional Name: 4-(2-amino-2-keto-ethoxy)-N-[(3R,4R)-4-hydroxy-1-(1H-indol-3-ylmethyl)azepan-1-ium-3-yl]benzamide Formula: C24H29N4O4+ MolecularWeight: 437.51146

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C[NH+](C1)CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)OCC(=O)N)O

Isomeric SMILES

C1C[C@H]([C@@H](C[NH+](C1)CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=C(C=C4)OCC(=O)N)O

InChI

InChI=1S/C24H28N4O4/c25-23(30)15-32-18-9-7-16(8-10-18)24(31)27-21-14-28(11-3-6-22(21)29)13-17-12-26-20-5-2-1-4-19(17)20/h1-2,4-5,7-10,12,21-22,26,29H,3,6,11,13-15H2,(H2,25,30)(H,27,31)/p+1/t21-,22-/m1/s1