N-[3-(3-morpholin-4-ium-4-ylpropylamino)-3-oxidanylidene-propyl]-N-(phenylmethyl)pyrazine-2-carboxamide

Systemtic Name: N-[3-(3-morpholin-4-ium-4-ylpropylamino)-3-oxidanylidene-propyl]-N-(phenylmethyl)pyrazine-2-carboxamide Openeye Name: N-benzyl-N-[3-(3-morpholin-4-ium-4-ylpropylamino)-3-oxo-propyl]pyrazine-2-carboxamide CAS Name: N-[3-[3-(4-morpholin-4-iumyl)propylamino]-3-oxopropyl]-N-(phenylmethyl)-2-pyrazinecarboxamide IUPAC Name: N-benzyl-N-[3-(3-morpholin-4-ium-4-ylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide Traditional Name: N-benzyl-N-[3-keto-3-(3-morpholin-4-ium-4-ylpropylamino)propyl]pyrazinamide Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)CCN(CC2=CC=CC=C2)C(=O)C3=NC=CN=C3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)CCN(CC2=CC=CC=C2)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C22H29N5O3/c28-21(25-8-4-11-26-13-15-30-16-14-26)7-12-27(18-19-5-2-1-3-6-19)22(29)20-17-23-9-10-24-20/h1-3,5-6,9-10,17H,4,7-8,11-16,18H2,(H,25,28)/p+1