[4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperazin-4-ium-1-yl]-piperidin-1-yl-methanone

Systemtic Name: [4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperazin-4-ium-1-yl]-piperidin-1-yl-methanone Openeye Name: [4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperazin-4-ium-1-yl]-(1-piperidyl)methanone CAS Name: [4-[[4-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl]-1-piperazin-4-iumyl]-(1-piperidinyl)methanone IUPAC Name: [4-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperazin-4-ium-1-yl]-piperidin-1-ylmethanone Traditional Name: [4-[4-(3,5-dimethylpyrazol-1-yl)benzyl]piperazin-4-ium-1-yl]-piperidino-methanone Formula: C22H32N5O+ MolecularWeight: 382.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C[NH+]3CCN(CC3)C(=O)N4CCCCC4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C[NH+]3CCN(CC3)C(=O)N4CCCCC4)C

InChI

InChI=1S/C22H31N5O/c1-18-16-19(2)27(23-18)21-8-6-20(7-9-21)17-24-12-14-26(15-13-24)22(28)25-10-4-3-5-11-25/h6-9,16H,3-5,10-15,17H2,1-2H3/p+1