5-chloranyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-pyrazole-4-carboxamide CAS Name: 5-chloro-N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-5-chloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3-methylpyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-pyrazole-4-carboxamide Formula: C22H26ClN4O2+ MolecularWeight: 413.92044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCC(C2=CC=CO2)[NH+]3CCCC3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC[C@H](C2=CC=CO2)[NH+]3CCCC3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H25ClN4O2/c1-16-20(21(23)27(25-16)15-17-8-3-2-4-9-17)22(28)24-14-18(19-10-7-13-29-19)26-11-5-6-12-26/h2-4,7-10,13,18H,5-6,11-12,14-15H2,1H3,(H,24,28)/p+1/t18-/m1/s1