2-(5-nitro-2-pyrrolidin-1-yl-phenoxy)ethyl-dipropyl-azanium

Systemtic Name: 2-(5-nitro-2-pyrrolidin-1-yl-phenoxy)ethyl-dipropyl-azanium Openeye Name: 2-(5-nitro-2-pyrrolidin-1-yl-phenoxy)ethyl-dipropyl-ammonium CAS Name: 2-[5-nitro-2-(1-pyrrolidinyl)phenoxy]ethyl-dipropylammonium IUPAC Name: 2-(5-nitro-2-pyrrolidin-1-ylphenoxy)ethyl-dipropylazanium Traditional Name: 2-(5-nitro-2-pyrrolidino-phenoxy)ethyl-dipropyl-ammonium Formula: C18H30N3O3+ MolecularWeight: 336.4491

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CCOC1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2

Isomeric SMILES

CCC[NH+](CCC)CCOC1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2

InChI

InChI=1S/C18H29N3O3/c1-3-9-19(10-4-2)13-14-24-18-15-16(21(22)23)7-8-17(18)20-11-5-6-12-20/h7-8,15H,3-6,9-14H2,1-2H3/p+1