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

Systemtic Name: 1-[(3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine Openeye Name: 1-[(3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine CAS Name: 1-[(3S)-1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-4-phenylpiperazine IUPAC Name: 1-[(3S)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-phenylpiperazine Traditional Name: 1-[(3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-phenyl-piperazine Formula: C23H36N5+ MolecularWeight: 382.56544

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H35N5/c1-4-28-20(3)23(19(2)24-28)18-25-12-8-11-22(17-25)27-15-13-26(14-16-27)21-9-6-5-7-10-21/h5-7,9-10,22H,4,8,11-18H2,1-3H3/p+1/t22-/m0/s1