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

Systemtic Name: [(1R)-2-(cyclopentylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-diethyl-azanium Openeye Name: [(1R)-2-(cyclopentylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-ethyl]-diethyl-ammonium CAS Name: [(1R)-2-(cyclopentylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxoethyl]-diethylammonium IUPAC Name: [(1R)-2-(cyclopentylamino)-1-(6-nitro-1,3-benzodioxol-5-yl)-2-oxoethyl]-diethylazanium Traditional Name: [(1R)-2-(cyclopentylamino)-2-keto-1-(6-nitro-1,3-benzodioxol-5-yl)ethyl]-diethyl-ammonium Formula: C18H26N3O5+ MolecularWeight: 364.41614

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(C1=CC2=C(C=C1[N+](=O)[O-])OCO2)C(=O)NC3CCCC3

Isomeric SMILES

CC[NH+](CC)[C@H](C1=CC2=C(C=C1[N+](=O)[O-])OCO2)C(=O)NC3CCCC3

InChI

InChI=1S/C18H25N3O5/c1-3-20(4-2)17(18(22)19-12-7-5-6-8-12)13-9-15-16(26-11-25-15)10-14(13)21(23)24/h9-10,12,17H,3-8,11H2,1-2H3,(H,19,22)/p+1/t17-/m1/s1