[2-(cyclopentylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [2-(cyclopentylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-(cyclopentylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(cyclopentylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(cyclopentylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxoethyl]-methylazanium Traditional Name: benzyl-[2-(cyclopentylamino)-2-keto-1-(6-nitro-1,3-benzodioxol-5-yl)ethyl]-methyl-ammonium Formula: C22H26N3O5+ MolecularWeight: 412.45894

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)NC4CCCC4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)NC4CCCC4

InChI

InChI=1S/C22H25N3O5/c1-24(13-15-7-3-2-4-8-15)21(22(26)23-16-9-5-6-10-16)17-11-19-20(30-14-29-19)12-18(17)25(27)28/h2-4,7-8,11-12,16,21H,5-6,9-10,13-14H2,1H3,(H,23,26)/p+1