[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidin-4-yl]-(furan-3-ylmethyl)azanium

Systemtic Name: [1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidin-4-yl]-(furan-3-ylmethyl)azanium Openeye Name: [1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-piperidyl]-(3-furylmethyl)ammonium CAS Name: [1-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-4-piperidinyl]-(3-furanylmethyl)ammonium IUPAC Name: [1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidin-4-yl]-(furan-3-ylmethyl)azanium Traditional Name: [1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-piperidyl]-(3-furfuryl)ammonium Formula: C21H27N4O+ MolecularWeight: 351.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CC4=COC=C4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)N3CCC(CC3)[NH2+]CC4=COC=C4)C

InChI

InChI=1S/C21H26N4O/c1-16-13-17(2)25(23-16)21-5-3-20(4-6-21)24-10-7-19(8-11-24)22-14-18-9-12-26-15-18/h3-6,9,12-13,15,19,22H,7-8,10-11,14H2,1-2H3/p+1