dimethyl-[3-(3-methylphenoxy)-2-oxidanyl-propyl]-[2-(4-nitrooxybutanoylamino)ethyl]azanium

Systemtic Name: dimethyl-[3-(3-methylphenoxy)-2-oxidanyl-propyl]-[2-(4-nitrooxybutanoylamino)ethyl]azanium Openeye Name: [2-hydroxy-3-(3-methylphenoxy)propyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]ammonium CAS Name: [2-hydroxy-3-(3-methylphenoxy)propyl]-dimethyl-[2-[(4-nitrooxy-1-oxobutyl)amino]ethyl]ammonium IUPAC Name: [2-hydroxy-3-(3-methylphenoxy)propyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]azanium Traditional Name: [2-hydroxy-3-(3-methylphenoxy)propyl]-dimethyl-[2-(4-nitrooxybutanoylamino)ethyl]ammonium Formula: C18H30N3O6+ MolecularWeight: 384.4473

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(C[N+](C)(C)CCNC(=O)CCCO[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(C[N+](C)(C)CCNC(=O)CCCO[N+](=O)[O-])O

InChI

InChI=1S/C18H29N3O6/c1-15-6-4-7-17(12-15)26-14-16(22)13-21(2,3)10-9-19-18(23)8-5-11-27-20(24)25/h4,6-7,12,16,22H,5,8-11,13-14H2,1-3H3/p+1