3-[1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[1-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: 3-[1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: 3-[1-[(5-chloro-1,3-dimethyl-4-pyrazolyl)methyl]-4-piperidin-1-iumyl]-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: 3-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: 3-[1-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-4-yl]-1-(4-phenylpiperazino)propan-1-one Formula: C24H35ClN5O+ MolecularWeight: 445.0206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CCC(CC2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCC(CC2)CCC(=O)N3CCN(CC3)C4=CC=CC=C4)Cl)C

InChI

InChI=1S/C24H34ClN5O/c1-19-22(24(25)27(2)26-19)18-28-12-10-20(11-13-28)8-9-23(31)30-16-14-29(15-17-30)21-6-4-3-5-7-21/h3-7,20H,8-18H2,1-2H3/p+1