1-[5-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-2-propanoyl-phenyl]-N-ethyl-piperazin-1-ium-1-carboxamide

Systemtic Name: 1-[5-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-2-propanoyl-phenyl]-N-ethyl-piperazin-1-ium-1-carboxamide Openeye Name: 1-[5-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-2-propanoyl-phenyl]-N-ethyl-piperazin-1-ium-1-carboxamide CAS Name: 1-[5-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-2-(1-oxopropyl)phenyl]-N-ethyl-1-piperazin-1-iumcarboxamide IUPAC Name: 1-[5-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-2-propanoylphenyl]-N-ethylpiperazin-1-ium-1-carboxamide Traditional Name: N-ethyl-1-[5-[4-(2-imidazolin-2-ylamino)phenyl]-2-propionyl-phenyl]piperazin-1-ium-1-carboxamide Formula: C25H33N6O2+ MolecularWeight: 449.56852

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=C(C=C1)C2=CC=C(C=C2)NC3=NCCN3)[N+]4(CCNCC4)C(=O)NCC

Isomeric SMILES

CCC(=O)C1=C(C=C(C=C1)C2=CC=C(C=C2)NC3=NCCN3)[N+]4(CCNCC4)C(=O)NCC

InChI

InChI=1S/C25H32N6O2/c1-3-23(32)21-10-7-19(18-5-8-20(9-6-18)30-24-28-11-12-29-24)17-22(21)31(25(33)27-4-2)15-13-26-14-16-31/h5-10,17,26H,3-4,11-16H2,1-2H3,(H2-,27,28,29,30,32,33)/p+1