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

Systemtic Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-4-thiophen-2-yl-butanamide Openeye Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-4-(2-thienyl)butanamide CAS Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-4-thiophen-2-ylbutanamide Traditional Name: N-[2-[(2S)-2-ethyl-7-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-ium-4-yl]ethyl]-4-(2-thienyl)butyramide Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH+](CC2=C(O1)C=CC(=C2)OC)CCNC(=O)CCCC3=CC=CS3

Isomeric SMILES

CC[C@H]1C[NH+](CC2=C(O1)C=CC(=C2)OC)CCNC(=O)CCCC3=CC=CS3

InChI

InChI=1S/C22H30N2O3S/c1-3-18-16-24(15-17-14-19(26-2)9-10-21(17)27-18)12-11-23-22(25)8-4-6-20-7-5-13-28-20/h5,7,9-10,13-14,18H,3-4,6,8,11-12,15-16H2,1-2H3,(H,23,25)/p+1/t18-/m0/s1