N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-3-methyl-butanamide

Systemtic Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-3-methyl-butanamide Openeye Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-3-methyl-butanamide CAS Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-3-methylbutanamide IUPAC Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-3-methylbutanamide Traditional Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-3-methyl-butyramide Formula: C19H31N2O3+ MolecularWeight: 335.46104

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CC2=C(O1)C=CC(=C2)OC)CCNC(=O)CC(C)C

Isomeric SMILES

CC[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)OC)CCNC(=O)CC(C)C

InChI

InChI=1S/C19H30N2O3/c1-5-16-13-21(9-8-20-19(22)10-14(2)3)12-15-11-17(23-4)6-7-18(15)24-16/h6-7,11,14,16H,5,8-10,12-13H2,1-4H3,(H,20,22)/p+1/t16-/m0/s1