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

Systemtic Name: 4-(2-methoxyethoxy)-N-[(3R,4R)-4-oxidanyl-1-propan-2-yl-azepan-1-ium-3-yl]benzamide Openeye Name: N-[(3R,4R)-4-hydroxy-1-isopropyl-azepan-1-ium-3-yl]-4-(2-methoxyethoxy)benzamide CAS Name: N-[(3R,4R)-4-hydroxy-1-propan-2-yl-3-azepan-1-iumyl]-4-(2-methoxyethoxy)benzamide IUPAC Name: N-[(3R,4R)-4-hydroxy-1-propan-2-ylazepan-1-ium-3-yl]-4-(2-methoxyethoxy)benzamide Traditional Name: N-[(3R,4R)-4-hydroxy-1-isopropyl-azepan-1-ium-3-yl]-4-(2-methoxyethoxy)benzamide Formula: C19H31N2O4+ MolecularWeight: 351.46044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCCC(C(C1)NC(=O)C2=CC=C(C=C2)OCCOC)O

Isomeric SMILES

CC(C)[NH+]1CCC[C@H]([C@@H](C1)NC(=O)C2=CC=C(C=C2)OCCOC)O

InChI

InChI=1S/C19H30N2O4/c1-14(2)21-10-4-5-18(22)17(13-21)20-19(23)15-6-8-16(9-7-15)25-12-11-24-3/h6-9,14,17-18,22H,4-5,10-13H2,1-3H3,(H,20,23)/p+1/t17-,18-/m1/s1