1-[(5S)-3-(benzimidazol-2-ylidene)-5-(4-methoxyphenyl)pyrazolidin-1-yl]-3-piperidin-1-ium-1-yl-propan-1-one

Systemtic Name: 1-[(5S)-3-(benzimidazol-2-ylidene)-5-(4-methoxyphenyl)pyrazolidin-1-yl]-3-piperidin-1-ium-1-yl-propan-1-one Openeye Name: 1-[(5S)-3-(benzimidazol-2-ylidene)-5-(4-methoxyphenyl)pyrazolidin-1-yl]-3-piperidin-1-ium-1-yl-propan-1-one CAS Name: 1-[(5S)-3-(2-benzimidazolylidene)-5-(4-methoxyphenyl)-1-pyrazolidinyl]-3-(1-piperidin-1-iumyl)-1-propanone IUPAC Name: 1-[(5S)-3-(benzimidazol-2-ylidene)-5-(4-methoxyphenyl)pyrazolidin-1-yl]-3-piperidin-1-ium-1-ylpropan-1-one Traditional Name: 1-[(5S)-3-(benzimidazol-2-ylidene)-5-(4-methoxyphenyl)pyrazolidin-1-yl]-3-piperidin-1-ium-1-yl-propan-1-one Formula: C25H30N5O2+ MolecularWeight: 432.538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=C3N=C4C=CC=CC4=N3)NN2C(=O)CC[NH+]5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]2CC(=C3N=C4C=CC=CC4=N3)NN2C(=O)CC[NH+]5CCCCC5

InChI

InChI=1S/C25H29N5O2/c1-32-19-11-9-18(10-12-19)23-17-22(25-26-20-7-3-4-8-21(20)27-25)28-30(23)24(31)13-16-29-14-5-2-6-15-29/h3-4,7-12,23,28H,2,5-6,13-17H2,1H3/p+1/t23-/m0/s1