N-[3-oxidanylidene-3-(2-pyrrolidin-1-ium-1-ylethylamino)propyl]-N-phenethyl-pyrazine-2-carboxamide

Systemtic Name: N-[3-oxidanylidene-3-(2-pyrrolidin-1-ium-1-ylethylamino)propyl]-N-phenethyl-pyrazine-2-carboxamide Openeye Name: N-[3-oxo-3-(2-pyrrolidin-1-ium-1-ylethylamino)propyl]-N-phenethyl-pyrazine-2-carboxamide CAS Name: N-[3-oxo-3-[2-(1-pyrrolidin-1-iumyl)ethylamino]propyl]-N-phenethyl-2-pyrazinecarboxamide IUPAC Name: N-[3-oxo-3-(2-pyrrolidin-1-ium-1-ylethylamino)propyl]-N-phenethylpyrazine-2-carboxamide Traditional Name: N-[3-keto-3-(2-pyrrolidin-1-ium-1-ylethylamino)propyl]-N-phenethyl-pyrazinamide Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNC(=O)CCN(CCC2=CC=CC=C2)C(=O)C3=NC=CN=C3

Isomeric SMILES

C1CC[NH+](C1)CCNC(=O)CCN(CCC2=CC=CC=C2)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C22H29N5O2/c28-21(25-12-17-26-13-4-5-14-26)9-16-27(15-8-19-6-2-1-3-7-19)22(29)20-18-23-10-11-24-20/h1-3,6-7,10-11,18H,4-5,8-9,12-17H2,(H,25,28)/p+1