3,7-diethyl-1-phenyl-6-(2-piperidin-1-ylethylamino)-1-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one

Systemtic Name: 3,7-diethyl-1-phenyl-6-(2-piperidin-1-ylethylamino)-1-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Openeye Name: 3,7-diethyl-1-phenyl-6-[2-(1-piperidyl)ethylamino]-1-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one CAS Name: 3,7-diethyl-1-phenyl-6-[2-(1-piperidinyl)ethylamino]-1-(1H-pyrazol-4-yl)-2-benzimidazol-1-iumone IUPAC Name: 3,7-diethyl-1-phenyl-6-(2-piperidin-1-ylethylamino)-1-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Traditional Name: 3,7-diethyl-1-phenyl-6-(2-piperidinoethylamino)-1-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Formula: C27H35N6O+ MolecularWeight: 459.6064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC2=C1[N+](C(=O)N2CC)(C3=CC=CC=C3)C4=CNN=C4)NCCN5CCCCC5

Isomeric SMILES

CCC1=C(C=CC2=C1[N+](C(=O)N2CC)(C3=CC=CC=C3)C4=CNN=C4)NCCN5CCCCC5

InChI

InChI=1S/C27H35N6O/c1-3-23-24(28-15-18-31-16-9-6-10-17-31)13-14-25-26(23)33(22-19-29-30-20-22,27(34)32(25)4-2)21-11-7-5-8-12-21/h5,7-8,11-14,19-20,28H,3-4,6,9-10,15-18H2,1-2H3,(H,29,30)/q+1