2-azanyl-4-(methoxymethyl)-1-[2-(methoxymethyl)-4,6-dimethyl-phenyl]-4-(3-methoxypropyl)-6-methyl-2H-pyrazin-4-ium-3-one

Systemtic Name: 2-azanyl-4-(methoxymethyl)-1-[2-(methoxymethyl)-4,6-dimethyl-phenyl]-4-(3-methoxypropyl)-6-methyl-2H-pyrazin-4-ium-3-one Openeye Name: 2-amino-4-(methoxymethyl)-1-[2-(methoxymethyl)-4,6-dimethyl-phenyl]-4-(3-methoxypropyl)-6-methyl-2H-pyrazin-4-ium-3-one CAS Name: 2-amino-4-(methoxymethyl)-1-[2-(methoxymethyl)-4,6-dimethylphenyl]-4-(3-methoxypropyl)-6-methyl-2H-pyrazin-4-ium-3-one IUPAC Name: 2-amino-4-(methoxymethyl)-1-[2-(methoxymethyl)-4,6-dimethylphenyl]-4-(3-methoxypropyl)-6-methyl-2H-pyrazin-4-ium-3-one Traditional Name: 2-amino-4-(methoxymethyl)-1-[2-(methoxymethyl)-4,6-dimethyl-phenyl]-4-(3-methoxypropyl)-6-methyl-2H-pyrazin-4-ium-3-one Formula: C21H34N3O4+ MolecularWeight: 392.51236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)COC)N2C(C(=O)[N+](C=C2C)(CCCOC)COC)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)COC)N2C(C(=O)[N+](C=C2C)(CCCOC)COC)N)C

InChI

InChI=1S/C21H34N3O4/c1-15-10-16(2)19(18(11-15)13-27-5)23-17(3)12-24(14-28-6,8-7-9-26-4)21(25)20(23)22/h10-12,20H,7-9,13-14,22H2,1-6H3/q+1