2-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-3-methyl-quinoxaline

Systemtic Name: 2-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-3-methyl-quinoxaline Openeye Name: 2-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-3-methyl-quinoxaline CAS Name: 2-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]methyl]-3-methylquinoxaline IUPAC Name: 2-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-3-methylquinoxaline Traditional Name: 2-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]methyl]-3-methyl-quinoxaline Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCCC3C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1C[NH+]3CCC[C@H]3C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C23H25N3O2/c1-16-20(25-19-7-3-2-6-18(19)24-16)15-26-11-4-8-21(26)17-9-10-22-23(14-17)28-13-5-12-27-22/h2-3,6-7,9-10,14,21H,4-5,8,11-13,15H2,1H3/p+1/t21-/m0/s1