1-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine

Systemtic Name: 1-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Openeye Name: 1-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine CAS Name: 1-[(3S)-1-[(1-ethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-4-(4-methoxyphenyl)piperazine IUPAC Name: 1-[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(4-methoxyphenyl)piperazine Traditional Name: 1-[(3S)-1-[(1-ethylpyrazol-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:

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

Isomeric SMILES

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

InChI

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