N-[3-[(4-fluorophenyl)methylamino]-3-oxidanylidene-propyl]-5-methyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide

Systemtic Name: N-[3-[(4-fluorophenyl)methylamino]-3-oxidanylidene-propyl]-5-methyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide Openeye Name: N-[3-[(4-fluorophenyl)methylamino]-3-oxo-propyl]-5-methyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide CAS Name: N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-5-methyl-N-[2-(1-piperidin-1-iumyl)ethyl]-2-pyrazinecarboxamide IUPAC Name: N-[3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-5-methyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide Traditional Name: N-[3-[(4-fluorobenzyl)amino]-3-keto-propyl]-5-methyl-N-(2-piperidin-1-ium-1-ylethyl)pyrazinamide Formula: C23H31FN5O2+ MolecularWeight: 428.522943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)N(CCC(=O)NCC2=CC=C(C=C2)F)CC[NH+]3CCCCC3

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)N(CCC(=O)NCC2=CC=C(C=C2)F)CC[NH+]3CCCCC3

InChI

InChI=1S/C23H30FN5O2/c1-18-15-26-21(17-25-18)23(31)29(14-13-28-10-3-2-4-11-28)12-9-22(30)27-16-19-5-7-20(24)8-6-19/h5-8,15,17H,2-4,9-14,16H2,1H3,(H,27,30)/p+1