N-ethyl-4-(3-methoxypropyl)-7-methyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-amine

Systemtic Name: N-ethyl-4-(3-methoxypropyl)-7-methyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-amine Openeye Name: N-ethyl-4-(3-methoxypropyl)-7-methyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-amine CAS Name: N-ethyl-4-(3-methoxypropyl)-7-methyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-amine IUPAC Name: N-ethyl-4-(3-methoxypropyl)-7-methyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-amine Traditional Name: ethyl-[4-(3-methoxypropyl)-7-methyl-7-azoniabicyclo[4.1.0]hepta-1(6),2,4-trien-7-yl]amine Formula: C13H21N2O+ MolecularWeight: 221.31864

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Descriptors Computed from Structure

Canonical SMILES:

CCN[N+]1(C2=C1C=C(C=C2)CCCOC)C

Isomeric SMILES

CCN[N+]1(C2=C1C=C(C=C2)CCCOC)C

InChI

InChI=1S/C13H21N2O/c1-4-14-15(2)12-8-7-11(10-13(12)15)6-5-9-16-3/h7-8,10,14H,4-6,9H2,1-3H3/q+1