1-(2-propan-2-yloxyphenyl)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazin-1-ium

Systemtic Name: 1-(2-propan-2-yloxyphenyl)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazin-1-ium Openeye Name: 1-(2-isopropoxyphenyl)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazin-1-ium CAS Name: 1-(2-propan-2-yloxyphenyl)-1-[[4-(1-pyrrolidinylmethyl)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-(2-propan-2-yloxyphenyl)-1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperazin-1-ium Traditional Name: 1-(2-isopropoxyphenyl)-1-[4-(pyrrolidinomethyl)benzyl]piperazin-1-ium Formula: C25H36N3O+ MolecularWeight: 394.57284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1[N+]2(CCNCC2)CC3=CC=C(C=C3)CN4CCCC4

Isomeric SMILES

CC(C)OC1=CC=CC=C1[N+]2(CCNCC2)CC3=CC=C(C=C3)CN4CCCC4

InChI

InChI=1S/C25H36N3O/c1-21(2)29-25-8-4-3-7-24(25)28(17-13-26-14-18-28)20-23-11-9-22(10-12-23)19-27-15-5-6-16-27/h3-4,7-12,21,26H,5-6,13-20H2,1-2H3/q+1