N-[(2S)-butan-2-yl]-N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]pyrazine-2-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]pyrazine-2-carboxamide Openeye Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-N-[(1S)-1-methylpropyl]pyrazine-2-carboxamide CAS Name: N-[(2S)-butan-2-yl]-N-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-2-pyrazinecarboxamide IUPAC Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-[(2S)-butan-2-yl]pyrazine-2-carboxamide Traditional Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-N-[(1S)-1-methylpropyl]pyrazinamide Formula: C23H32N5O2+ MolecularWeight: 410.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CCC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)C3=NC=CN=C3

Isomeric SMILES

CC[C@H](C)N(CCC(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C23H31N5O2/c1-3-19(2)28(23(30)21-17-24-10-11-25-21)12-9-22(29)27-15-13-26(14-16-27)18-20-7-5-4-6-8-20/h4-8,10-11,17,19H,3,9,12-16,18H2,1-2H3/p+1/t19-/m0/s1