1-[2-ethyl-2-[(2-methoxyphenyl)methyl]-5-nitro-isoindol-2-ium-1-yl]pentan-1-amine

Systemtic Name: 1-[2-ethyl-2-[(2-methoxyphenyl)methyl]-5-nitro-isoindol-2-ium-1-yl]pentan-1-amine Openeye Name: 1-[2-ethyl-2-[(2-methoxyphenyl)methyl]-5-nitro-isoindol-2-ium-1-yl]pentan-1-amine CAS Name: 1-[2-ethyl-2-[(2-methoxyphenyl)methyl]-5-nitro-1-isoindol-2-iumyl]-1-pentanamine IUPAC Name: 1-[2-ethyl-2-[(2-methoxyphenyl)methyl]-5-nitroisoindol-2-ium-1-yl]pentan-1-amine Traditional Name: 1-(2-ethyl-5-nitro-2-o-anisyl-isoindol-2-ium-1-yl)pentylamine Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=C2C=CC(=CC2=C[N+]1(CC)CC3=CC=CC=C3OC)[N+](=O)[O-])N

Isomeric SMILES

CCCCC(C1=C2C=CC(=CC2=C[N+]1(CC)CC3=CC=CC=C3OC)[N+](=O)[O-])N

InChI

InChI=1S/C23H30N3O3/c1-4-6-10-21(24)23-20-13-12-19(25(27)28)14-18(20)16-26(23,5-2)15-17-9-7-8-11-22(17)29-3/h7-9,11-14,16,21H,4-6,10,15,24H2,1-3H3/q+1