N-aminocarbonyl-3-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]propanamide

Systemtic Name: N-aminocarbonyl-3-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]propanamide Openeye Name: N-carbamoyl-3-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]propanamide CAS Name: N-carbamoyl-3-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]propanamide IUPAC Name: N-carbamoyl-3-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]propanamide Traditional Name: N-carbamoyl-3-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]propionamide Formula: C17H26N3O3+ MolecularWeight: 320.40664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3/c1-23-14-8-6-13(7-9-14)15-5-3-2-4-11-20(15)12-10-16(21)19-17(18)22/h6-9,15H,2-5,10-12H2,1H3,(H3,18,19,21,22)/p+1/t15-/m1/s1