[4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]phenyl]methylazanium

Systemtic Name: [4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]phenyl]methylazanium Openeye Name: [4-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]phenyl]methylammonium CAS Name: [4-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]phenyl]methylammonium IUPAC Name: [4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]phenyl]methylazanium Traditional Name: [4-[4-(5-chloro-2-methyl-phenyl)piperazino]benzyl]ammonium Formula: C18H23ClN3+ MolecularWeight: 316.84832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=CC=C(C=C3)C[NH3+]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=CC=C(C=C3)C[NH3+]

InChI

InChI=1S/C18H22ClN3/c1-14-2-5-16(19)12-18(14)22-10-8-21(9-11-22)17-6-3-15(13-20)4-7-17/h2-7,12H,8-11,13,20H2,1H3/p+1