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N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]thiophene-3-carboxamide
N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]thiophene-3-carboxamide
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Descriptors Computed from Structure
Canonical SMILES:
CCC1C[NH+](CC2=C(O1)C=CC(=C2)OC)CCNC(=O)C3=CSC=C3
Isomeric SMILES
CC[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)OC)CCNC(=O)C3=CSC=C3
InChI
InChI=1S/C19H24N2O3S/c1-3-16-12-21(8-7-20-19(22)14-6-9-25-13-14)11-15-10-17(23-2)4-5-18(15)24-16/h4-6,9-10,13,16H,3,7-8,11-12H2,1-2H3,(H,20,22)/p+1/t16-/m0/s1
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