(2S)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-2-(5-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-[4-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]-2-(5-methyl-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-2-(5-methyl-1H-indol-3-yl)acetate Traditional Name: (2S)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-2-(5-methyl-1H-indol-3-yl)acetate Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2C(C(=O)[O-])[NH+]3CCC(CC3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2[C@@H](C(=O)[O-])[NH+]3CCC(CC3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C23H23N3O3/c1-14-6-7-18-16(12-14)17(13-24-18)21(23(27)28)26-10-8-15(9-11-26)22-25-19-4-2-3-5-20(19)29-22/h2-7,12-13,15,21,24H,8-11H2,1H3,(H,27,28)/t21-/m0/s1