1-[[3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium

Systemtic Name: 1-[[3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium Openeye Name: 1-[[3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium CAS Name: 1-[[3-(1,3-benzodioxol-5-yl)-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-(1-pyrrolidin-1-iumyl)piperidin-1-ium IUPAC Name: 1-[[3-(1,3-benzodioxol-5-yl)-1-benzylpyrazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-ylpiperidin-1-ium Traditional Name: 1-[[3-(1,3-benzodioxol-5-yl)-1-benzyl-pyrazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-yl-piperidin-1-ium Formula: C27H34N4O2+2 MolecularWeight: 446.58446

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CC[NH+](CC2)CC3=CN(N=C3C4=CC5=C(C=C4)OCO5)CC6=CC=CC=C6

Isomeric SMILES

C1CC[NH+](C1)C2CC[NH+](CC2)CC3=CN(N=C3C4=CC5=C(C=C4)OCO5)CC6=CC=CC=C6

InChI

InChI=1S/C27H32N4O2/c1-2-6-21(7-3-1)17-31-19-23(18-29-14-10-24(11-15-29)30-12-4-5-13-30)27(28-31)22-8-9-25-26(16-22)33-20-32-25/h1-3,6-9,16,19,24H,4-5,10-15,17-18,20H2/p+2