3-[4-(2-ethylbutyl)piperazin-4-ium-1-yl]aniline

Systemtic Name: 3-[4-(2-ethylbutyl)piperazin-4-ium-1-yl]aniline Openeye Name: 3-[4-(2-ethylbutyl)piperazin-4-ium-1-yl]aniline CAS Name: 3-[4-(2-ethylbutyl)-1-piperazin-4-iumyl]aniline IUPAC Name: 3-[4-(2-ethylbutyl)piperazin-4-ium-1-yl]aniline Traditional Name: [3-[4-(2-ethylbutyl)piperazin-4-ium-1-yl]phenyl]amine Formula: C16H28N3+ MolecularWeight: 262.41362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3/c1-3-14(4-2)13-18-8-10-19(11-9-18)16-7-5-6-15(17)12-16/h5-7,12,14H,3-4,8-11,13,17H2,1-2H3/p+1