N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-N-phenethyl-pyrazine-2-carboxamide

Systemtic Name: N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-N-phenethyl-pyrazine-2-carboxamide Openeye Name: N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxo-propyl]-N-phenethyl-pyrazine-2-carboxamide CAS Name: N-[3-(4-ethyl-1-piperazin-4-iumyl)-3-oxopropyl]-N-phenethyl-2-pyrazinecarboxamide IUPAC Name: N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-N-phenethylpyrazine-2-carboxamide Traditional Name: N-[3-(4-ethylpiperazin-4-ium-1-yl)-3-keto-propyl]-N-phenethyl-pyrazinamide Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCN(CCC2=CC=CC=C2)C(=O)C3=NC=CN=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCN(CCC2=CC=CC=C2)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C22H29N5O2/c1-2-25-14-16-26(17-15-25)21(28)9-13-27(12-8-19-6-4-3-5-7-19)22(29)20-18-23-10-11-24-20/h3-7,10-11,18H,2,8-9,12-17H2,1H3/p+1