4-ethoxy-N-[(2S)-3-methyl-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 4-ethoxy-N-[(2S)-3-methyl-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 4-ethoxy-N-[(1S)-2-methyl-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]propyl]benzamide CAS Name: 4-ethoxy-N-[(2S)-3-methyl-1-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propylamino]-1-oxobutan-2-yl]benzamide IUPAC Name: 4-ethoxy-N-[(2S)-3-methyl-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylamino]-1-oxobutan-2-yl]benzamide Traditional Name: 4-ethoxy-N-[(1S)-2-methyl-1-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propylcarbamoyl]propyl]benzamide Formula: C23H38N3O3+ MolecularWeight: 404.56612

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)NCCC[NH+]2CCCCC2C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)NCCC[NH+]2CCCC[C@@H]2C

InChI

InChI=1S/C23H37N3O3/c1-5-29-20-12-10-19(11-13-20)22(27)25-21(17(2)3)23(28)24-14-8-16-26-15-7-6-9-18(26)4/h10-13,17-18,21H,5-9,14-16H2,1-4H3,(H,24,28)(H,25,27)/p+1/t18-,21-/m0/s1