5-methyl-N-[3-[(4-methylphenyl)amino]-3-oxidanylidene-propyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide

Systemtic Name: 5-methyl-N-[3-[(4-methylphenyl)amino]-3-oxidanylidene-propyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide Openeye Name: 5-methyl-N-[3-(4-methylanilino)-3-oxo-propyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide CAS Name: 5-methyl-N-[3-(4-methylanilino)-3-oxopropyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-2-pyrazinecarboxamide IUPAC Name: 5-methyl-N-[3-(4-methylanilino)-3-oxopropyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide Traditional Name: N-[3-keto-3-(p-toluidino)propyl]-5-methyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazinamide Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CCN(CC[NH+]2CCOCC2)C(=O)C3=CN=C(C=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CCN(CC[NH+]2CCOCC2)C(=O)C3=CN=C(C=N3)C

InChI

InChI=1S/C22H29N5O3/c1-17-3-5-19(6-4-17)25-21(28)7-8-27(10-9-26-11-13-30-14-12-26)22(29)20-16-23-18(2)15-24-20/h3-6,15-16H,7-14H2,1-2H3,(H,25,28)/p+1