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

Systemtic Name: 1-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-propanoyl-cyclohexa-2,4-dien-1-yl]-N-ethyl-piperazin-1-ium-1-carboxamide Openeye Name: 1-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-propanoyl-cyclohexa-2,4-dien-1-yl]-N-ethyl-piperazin-1-ium-1-carboxamide CAS Name: 1-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-(1-oxopropyl)-1-cyclohexa-2,4-dienyl]-N-ethyl-1-piperazin-1-iumcarboxamide IUPAC Name: 1-[2-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-1-propanoylcyclohexa-2,4-dien-1-yl]-N-ethylpiperazin-1-ium-1-carboxamide Traditional Name: N-ethyl-1-[2-[4-(2-imidazolin-2-ylamino)phenyl]-1-propionyl-cyclohexa-2,4-dien-1-yl]piperazin-1-ium-1-carboxamide Formula: C25H35N6O2+ MolecularWeight: 451.5844

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1(CC=CC=C1C2=CC=C(C=C2)NC3=NCCN3)[N+]4(CCNCC4)C(=O)NCC

Isomeric SMILES

CCC(=O)C1(CC=CC=C1C2=CC=C(C=C2)NC3=NCCN3)[N+]4(CCNCC4)C(=O)NCC

InChI

InChI=1S/C25H34N6O2/c1-3-22(32)25(31(24(33)27-4-2)17-15-26-16-18-31)12-6-5-7-21(25)19-8-10-20(11-9-19)30-23-28-13-14-29-23/h5-11,26H,3-4,12-18H2,1-2H3,(H2-,27,28,29,30,33)/p+1