(3S)-1-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidin-4-yl]piperidin-1-ium-3-carbonitrile

Systemtic Name: (3S)-1-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidin-4-yl]piperidin-1-ium-3-carbonitrile Openeye Name: (3S)-1-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-piperidyl]piperidin-1-ium-3-carbonitrile CAS Name: (3S)-1-[1-[4-(3,5-dimethyl-1-pyrazolyl)phenyl]-4-piperidinyl]-3-piperidin-1-iumcarbonitrile IUPAC Name: (3S)-1-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]piperidin-4-yl]piperidin-1-ium-3-carbonitrile Traditional Name: (3S)-1-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]-4-piperidyl]piperidin-1-ium-3-carbonitrile Formula: C22H30N5+ MolecularWeight: 364.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)N3CCC(CC3)[NH+]4CCCC(C4)C#N)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)N3CCC(CC3)[NH+]4CCC[C@@H](C4)C#N)C

InChI

InChI=1S/C22H29N5/c1-17-14-18(2)27(24-17)22-7-5-20(6-8-22)25-12-9-21(10-13-25)26-11-3-4-19(15-23)16-26/h5-8,14,19,21H,3-4,9-13,16H2,1-2H3/p+1/t19-/m1/s1