1-(2-methylphenyl)-4-[(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine

Systemtic Name: 1-(2-methylphenyl)-4-[(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine Openeye Name: 1-[(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(o-tolyl)piperazine CAS Name: 1-(2-methylphenyl)-4-[(3S)-1-[(5-methyl-1-propyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]piperazine IUPAC Name: 1-(2-methylphenyl)-4-[(3S)-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]piperazine Traditional Name: 1-[(3S)-1-[(5-methyl-1-propyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-4-(o-tolyl)piperazine Formula: C24H38N5+ MolecularWeight: 396.59202

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C=N1)C[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4C)C

Isomeric SMILES

CCCN1C(=C(C=N1)C[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4C)C

InChI

InChI=1S/C24H37N5/c1-4-11-29-21(3)22(17-25-29)18-26-12-7-9-23(19-26)27-13-15-28(16-14-27)24-10-6-5-8-20(24)2/h5-6,8,10,17,23H,4,7,9,11-16,18-19H2,1-3H3/p+1/t23-/m0/s1