1-[(3S)-1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine

Systemtic Name: 1-[(3S)-1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine Openeye Name: 1-[(3S)-1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine CAS Name: 1-[(3S)-1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-4-phenylpiperazine IUPAC Name: 1-[(3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-phenylpiperazine Traditional Name: 1-[(3S)-1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine Formula: C21H31ClN5+ MolecularWeight: 388.95734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4)Cl)C

InChI

InChI=1S/C21H30ClN5/c1-17-20(21(22)24(2)23-17)16-25-10-6-9-19(15-25)27-13-11-26(12-14-27)18-7-4-3-5-8-18/h3-5,7-8,19H,6,9-16H2,1-2H3/p+1/t19-/m0/s1