(E)-3-[(3S)-1-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]piperidin-1-ium-3-yl]prop-2-enoate

Systemtic Name: (E)-3-[(3S)-1-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]piperidin-1-ium-3-yl]prop-2-enoate Openeye Name: (E)-3-[(3S)-1-[(3R)-5-methoxyindolin-3-yl]piperidin-1-ium-3-yl]prop-2-enoate CAS Name: (E)-3-[(3S)-1-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]-3-piperidin-1-iumyl]-2-propenoate IUPAC Name: (E)-3-[(3S)-1-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]piperidin-1-ium-3-yl]prop-2-enoate Traditional Name: (E)-3-[(3S)-1-[(3R)-5-methoxyindolin-3-yl]piperidin-1-ium-3-yl]acrylate Formula: C17H22N2O3 MolecularWeight: 302.36818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NCC2[NH+]3CCCC(C3)C=CC(=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)NC[C@@H]2[NH+]3CCC[C@H](C3)/C=C/C(=O)[O-]

InChI

InChI=1S/C17H22N2O3/c1-22-13-5-6-15-14(9-13)16(10-18-15)19-8-2-3-12(11-19)4-7-17(20)21/h4-7,9,12,16,18H,2-3,8,10-11H2,1H3,(H,20,21)/b7-4+/t12-,16-/m0/s1