1-[(1-methylpyrazol-4-yl)methyl]-4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-ium

Systemtic Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-ium Openeye Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-ium CAS Name: 1-[(1-methyl-4-pyrazolyl)methyl]-4-[(3R)-1-phenethyl-3-pyrrolidin-1-iumyl]piperidin-1-ium IUPAC Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-ium Traditional Name: 1-[(1-methylpyrazol-4-yl)methyl]-4-[(3R)-1-phenethylpyrrolidin-1-ium-3-yl]piperidin-1-ium Formula: C22H34N4+2 MolecularWeight: 354.53216

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCC(CC2)C3CC[NH+](C3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC(CC2)[C@H]3CC[NH+](C3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H32N4/c1-24-16-20(15-23-24)17-25-12-8-21(9-13-25)22-10-14-26(18-22)11-7-19-5-3-2-4-6-19/h2-6,15-16,21-22H,7-14,17-18H2,1H3/p+2/t22-/m0/s1