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

Systemtic Name: N-cyclopentyl-2-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: N-cyclopentyl-2-[[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-cyclopentyl-2-[[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: N-cyclopentyl-2-[[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-cyclopentyl-2-[[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetyl]amino]benzamide Formula: C27H34N3O4+ MolecularWeight: 464.57656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCCC3C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCC[C@H]3C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C27H33N3O4/c31-26(29-22-10-4-3-9-21(22)27(32)28-20-7-1-2-8-20)18-30-14-5-11-23(30)19-12-13-24-25(17-19)34-16-6-15-33-24/h3-4,9-10,12-13,17,20,23H,1-2,5-8,11,14-16,18H2,(H,28,32)(H,29,31)/p+1/t23-/m0/s1