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

Systemtic Name: 5-methyl-N-(2-morpholin-4-ium-4-ylethyl)-N-[3-oxidanylidene-3-[(phenylmethyl)amino]propyl]pyrazine-2-carboxamide Openeye Name: N-[3-(benzylamino)-3-oxo-propyl]-5-methyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide CAS Name: 5-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]-N-[3-oxo-3-[(phenylmethyl)amino]propyl]-2-pyrazinecarboxamide IUPAC Name: N-[3-(benzylamino)-3-oxopropyl]-5-methyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide Traditional Name: N-[3-(benzylamino)-3-keto-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=NC=C(N=C1)C(=O)N(CCC(=O)NCC2=CC=CC=C2)CC[NH+]3CCOCC3

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)N(CCC(=O)NCC2=CC=CC=C2)CC[NH+]3CCOCC3

InChI

InChI=1S/C22H29N5O3/c1-18-15-24-20(17-23-18)22(29)27(10-9-26-11-13-30-14-12-26)8-7-21(28)25-16-19-5-3-2-4-6-19/h2-6,15,17H,7-14,16H2,1H3,(H,25,28)/p+1