N-[3-[[(2S)-butan-2-yl]amino]-3-oxidanylidene-propyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide

Systemtic Name: N-[3-[[(2S)-butan-2-yl]amino]-3-oxidanylidene-propyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide Openeye Name: N-[3-[[(1S)-1-methylpropyl]amino]-3-oxo-propyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide CAS Name: N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-2-pyrazinecarboxamide IUPAC Name: N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazine-2-carboxamide Traditional Name: N-[3-keto-3-[[(1S)-1-methylpropyl]amino]propyl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazinamide Formula: C18H30N5O3+ MolecularWeight: 364.4625

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CCN(CC[NH+]1CCOCC1)C(=O)C2=NC=CN=C2

Isomeric SMILES

CC[C@H](C)NC(=O)CCN(CC[NH+]1CCOCC1)C(=O)C2=NC=CN=C2

InChI

InChI=1S/C18H29N5O3/c1-3-15(2)21-17(24)4-7-23(9-8-22-10-12-26-13-11-22)18(25)16-14-19-5-6-20-16/h5-6,14-15H,3-4,7-13H2,1-2H3,(H,21,24)/p+1/t15-/m0/s1