[4-[4-(2-ethylbutyl)piperazin-4-ium-1-yl]phenyl]methylazanium

Systemtic Name: [4-[4-(2-ethylbutyl)piperazin-4-ium-1-yl]phenyl]methylazanium Openeye Name: [4-[4-(2-ethylbutyl)piperazin-4-ium-1-yl]phenyl]methylammonium CAS Name: [4-[4-(2-ethylbutyl)-1-piperazin-4-iumyl]phenyl]methylammonium IUPAC Name: [4-[4-(2-ethylbutyl)piperazin-4-ium-1-yl]phenyl]methylazanium Traditional Name: [4-[4-(2-ethylbutyl)piperazin-4-ium-1-yl]benzyl]ammonium Formula: C17H31N3+2 MolecularWeight: 277.44814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3/c1-3-15(4-2)14-19-9-11-20(12-10-19)17-7-5-16(13-18)6-8-17/h5-8,15H,3-4,9-14,18H2,1-2H3/p+2