N-[(3S)-1-ethyl-2-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)indol-3-yl]ethanamide

Systemtic Name: N-[(3S)-1-ethyl-2-oxidanylidene-3-(piperidin-1-ium-1-ylmethyl)indol-3-yl]ethanamide Openeye Name: N-[(3S)-1-ethyl-2-oxo-3-(piperidin-1-ium-1-ylmethyl)indolin-3-yl]acetamide CAS Name: N-[(3S)-1-ethyl-2-oxo-3-(1-piperidin-1-iumylmethyl)-3-indolyl]acetamide IUPAC Name: N-[(3S)-1-ethyl-2-oxo-3-(piperidin-1-ium-1-ylmethyl)indol-3-yl]acetamide Traditional Name: N-[(3S)-1-ethyl-2-keto-3-(piperidin-1-ium-1-ylmethyl)indolin-3-yl]acetamide Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(C1=O)(C[NH+]3CCCCC3)NC(=O)C

Isomeric SMILES

CCN1C2=CC=CC=C2[C@@](C1=O)(C[NH+]3CCCCC3)NC(=O)C

InChI

InChI=1S/C18H25N3O2/c1-3-21-16-10-6-5-9-15(16)18(17(21)23,19-14(2)22)13-20-11-7-4-8-12-20/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3,(H,19,22)/p+1/t18-/m1/s1