4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-[(2R)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-[(2R)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C22H26ClN4O2+ MolecularWeight: 413.92044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NCC(C3=CC=CO3)[NH+]4CCCC4)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC[C@H](C3=CC=CO3)[NH+]4CCCC4)C)Cl

InChI

InChI=1S/C22H25ClN4O2/c1-15-21(23)16(2)27(25-15)18-9-7-17(8-10-18)22(28)24-14-19(20-6-5-13-29-20)26-11-3-4-12-26/h5-10,13,19H,3-4,11-12,14H2,1-2H3,(H,24,28)/p+1/t19-/m1/s1