[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methyl-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]azanium

Systemtic Name: [1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methyl-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]azanium Openeye Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyl-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]ammonium CAS Name: [1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methyl-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]ammonium IUPAC Name: (1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methyl-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]azanium Traditional Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyl-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]ammonium Formula: C27H31N5+2 MolecularWeight: 425.56854

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1[NH2+]CC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](C[C@H]1[NH2+]CC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H29N5/c1-3-8-22(9-4-1)18-31-15-13-26(21-31)29-17-25-20-32(19-23-10-5-2-6-11-23)30-27(25)24-12-7-14-28-16-24/h1-12,14,16,20,26,29H,13,15,17-19,21H2/p+2/t26-/m0/s1