1-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine

Systemtic Name: 1-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Openeye Name: 1-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine CAS Name: 1-[(3S)-1-[(1,5-dimethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-4-(4-methoxyphenyl)piperazine IUPAC Name: 1-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Traditional Name: 1-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Formula: C22H34N5O+ MolecularWeight: 384.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C(C=NN1C)C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H33N5O/c1-18-19(15-23-24(18)2)16-25-10-4-5-21(17-25)27-13-11-26(12-14-27)20-6-8-22(28-3)9-7-20/h6-9,15,21H,4-5,10-14,16-17H2,1-3H3/p+1/t21-/m0/s1