[2-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]butyl]azanium

Systemtic Name: [2-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]butyl]azanium Openeye Name: [2-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]butyl]ammonium CAS Name: [2-ethyl-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]butyl]ammonium IUPAC Name: [2-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]butyl]azanium Traditional Name: [2-ethyl-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]butyl]ammonium Formula: C17H31N3O+2 MolecularWeight: 293.44754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C[NH3+])[NH+]1CCN(CC1)C2=CC=C(C=C2)OC

Isomeric SMILES

CCC(CC)(C[NH3+])[NH+]1CCN(CC1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H29N3O/c1-4-17(5-2,14-18)20-12-10-19(11-13-20)15-6-8-16(21-3)9-7-15/h6-9H,4-5,10-14,18H2,1-3H3/p+2