3-chloranyl-4-[(4-ethylpiperazin-4-ium-1-yl)methyl]aniline

Systemtic Name: 3-chloranyl-4-[(4-ethylpiperazin-4-ium-1-yl)methyl]aniline Openeye Name: 3-chloro-4-[(4-ethylpiperazin-4-ium-1-yl)methyl]aniline CAS Name: 3-chloro-4-[(4-ethyl-1-piperazin-4-iumyl)methyl]aniline IUPAC Name: 3-chloro-4-[(4-ethylpiperazin-4-ium-1-yl)methyl]aniline Traditional Name: [3-chloro-4-[(4-ethylpiperazin-4-ium-1-yl)methyl]phenyl]amine Formula: C13H21ClN3+ MolecularWeight: 254.77894

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=C(C=C(C=C2)N)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=C(C=C(C=C2)N)Cl

InChI

InChI=1S/C13H20ClN3/c1-2-16-5-7-17(8-6-16)10-11-3-4-12(15)9-13(11)14/h3-4,9H,2,5-8,10,15H2,1H3/p+1