N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(4-methylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(4-methylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide CAS Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(4-methyl-1-piperidin-1-iumyl)acetamide IUPAC Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide Traditional Name: N-[(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-(4-methylpiperidin-1-ium-1-yl)acetamide Formula: C21H33N2O3+ MolecularWeight: 361.49832

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)NC(C2=CC3=C(C=C2)OCCCO3)C(C)C

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)N[C@H](C2=CC3=C(C=C2)OCCCO3)C(C)C

InChI

InChI=1S/C21H32N2O3/c1-15(2)21(22-20(24)14-23-9-7-16(3)8-10-23)17-5-6-18-19(13-17)26-12-4-11-25-18/h5-6,13,15-16,21H,4,7-12,14H2,1-3H3,(H,22,24)/p+1/t21-/m0/s1