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

Systemtic Name: N-[(3R,4R)-1-(1H-indol-3-ylmethyl)-4-oxidanyl-azepan-1-ium-3-yl]-4-(2-methoxyethoxy)benzamide Openeye Name: N-[(3R,4R)-4-hydroxy-1-(1H-indol-3-ylmethyl)azepan-1-ium-3-yl]-4-(2-methoxyethoxy)benzamide CAS Name: N-[(3R,4R)-4-hydroxy-1-(1H-indol-3-ylmethyl)-3-azepan-1-iumyl]-4-(2-methoxyethoxy)benzamide IUPAC Name: N-[(3R,4R)-4-hydroxy-1-(1H-indol-3-ylmethyl)azepan-1-ium-3-yl]-4-(2-methoxyethoxy)benzamide Traditional Name: N-[(3R,4R)-4-hydroxy-1-(1H-indol-3-ylmethyl)azepan-1-ium-3-yl]-4-(2-methoxyethoxy)benzamide Formula: C25H32N3O4+ MolecularWeight: 438.53928

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC=C(C=C1)C(=O)NC2C[NH+](CCCC2O)CC3=CNC4=CC=CC=C43

Isomeric SMILES

COCCOC1=CC=C(C=C1)C(=O)N[C@@H]2C[NH+](CCC[C@H]2O)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C25H31N3O4/c1-31-13-14-32-20-10-8-18(9-11-20)25(30)27-23-17-28(12-4-7-24(23)29)16-19-15-26-22-6-3-2-5-21(19)22/h2-3,5-6,8-11,15,23-24,26,29H,4,7,12-14,16-17H2,1H3,(H,27,30)/p+1/t23-,24-/m1/s1