(2S)-2-(5-benzamido-1H-indol-3-yl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoate

Systemtic Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetate CAS Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-[(3S,5R)-3,5-dimethyl-1-piperidin-1-iumyl]acetate IUPAC Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetate Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C(C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@@H](C[NH+](C1)[C@@H](C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)[O-])C

InChI

InChI=1S/C24H27N3O3/c1-15-10-16(2)14-27(13-15)22(24(29)30)20-12-25-21-9-8-18(11-19(20)21)26-23(28)17-6-4-3-5-7-17/h3-9,11-12,15-16,22,25H,10,13-14H2,1-2H3,(H,26,28)(H,29,30)/t15-,16+,22-/m0/s1