[(3R,4S)-3-ethyl-1-oxidanidyl-3-oxidanyl-1-(phenylmethyl)piperidin-1-ium-4-yl]-(1H-indol-2-yl)methanone

Systemtic Name: [(3R,4S)-3-ethyl-1-oxidanidyl-3-oxidanyl-1-(phenylmethyl)piperidin-1-ium-4-yl]-(1H-indol-2-yl)methanone Openeye Name: [(3R,4S)-1-benzyl-3-ethyl-3-hydroxy-1-oxido-piperidin-1-ium-4-yl]-(1H-indol-2-yl)methanone CAS Name: [(3R,4S)-3-ethyl-3-hydroxy-1-oxido-1-(phenylmethyl)-4-piperidin-1-iumyl]-(1H-indol-2-yl)methanone IUPAC Name: [(3R,4S)-1-benzyl-3-ethyl-3-hydroxy-1-oxidopiperidin-1-ium-4-yl]-(1H-indol-2-yl)methanone Traditional Name: [(3R,4S)-1-benzyl-3-ethyl-3-hydroxy-1-oxido-piperidin-1-ium-4-yl]-(1H-indol-2-yl)methanone Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C[N+](CCC1C(=O)C2=CC3=CC=CC=C3N2)(CC4=CC=CC=C4)[O-])O

Isomeric SMILES

CC[C@@]1(C[N+](CC[C@@H]1C(=O)C2=CC3=CC=CC=C3N2)(CC4=CC=CC=C4)[O-])O

InChI

InChI=1S/C23H26N2O3/c1-2-23(27)16-25(28,15-17-8-4-3-5-9-17)13-12-19(23)22(26)21-14-18-10-6-7-11-20(18)24-21/h3-11,14,19,24,27H,2,12-13,15-16H2,1H3/t19-,23+,25?/m1/s1