3-[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]-N-ethyl-benzamide

Systemtic Name: 3-[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]-N-ethyl-benzamide Openeye Name: 3-[[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-ethyl-benzamide CAS Name: 3-[[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]-N-ethylbenzamide IUPAC Name: 3-[[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-ethylbenzamide Traditional Name: 3-[[2-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]-N-ethyl-benzamide Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CCNC(=O)C1=CC(=CC=C1)NC(=O)C[NH+]2CCC[C@@H]2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C24H29N3O4/c1-2-25-24(29)18-6-3-7-19(14-18)26-23(28)16-27-11-4-8-20(27)17-9-10-21-22(15-17)31-13-5-12-30-21/h3,6-7,9-10,14-15,20H,2,4-5,8,11-13,16H2,1H3,(H,25,29)(H,26,28)/p+1/t20-/m1/s1