N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-1,3-benzoxazol-2-amine

Systemtic Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-1,3-benzoxazol-2-amine Openeye Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-1,3-benzoxazol-2-amine CAS Name: N-[3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]propyl]-1,3-benzoxazol-2-amine IUPAC Name: N-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-1,3-benzoxazol-2-amine Traditional Name: 1,3-benzoxazol-2-yl-[3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propyl]amine Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CCCNC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H26N4O2/c1-26-18-9-7-17(8-10-18)25-15-13-24(14-16-25)12-4-11-22-21-23-19-5-2-3-6-20(19)27-21/h2-3,5-10H,4,11-16H2,1H3,(H,22,23)/p+1