3-nitro-N-[3-(2,3,5-trimethylphenoxy)propyl]pyridin-1-ium-2-amine

Systemtic Name: 3-nitro-N-[3-(2,3,5-trimethylphenoxy)propyl]pyridin-1-ium-2-amine Openeye Name: 3-nitro-N-[3-(2,3,5-trimethylphenoxy)propyl]pyridin-1-ium-2-amine CAS Name: 3-nitro-N-[3-(2,3,5-trimethylphenoxy)propyl]-2-pyridin-1-iumamine IUPAC Name: 3-nitro-N-[3-(2,3,5-trimethylphenoxy)propyl]pyridin-1-ium-2-amine Traditional Name: (3-nitropyridin-1-ium-2-yl)-[3-(2,3,5-trimethylphenoxy)propyl]amine Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCCNC2=C(C=CC=[NH+]2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCCNC2=C(C=CC=[NH+]2)[N+](=O)[O-])C)C

InChI

InChI=1S/C17H21N3O3/c1-12-10-13(2)14(3)16(11-12)23-9-5-8-19-17-15(20(21)22)6-4-7-18-17/h4,6-7,10-11H,5,8-9H2,1-3H3,(H,18,19)/p+1