[(2S)-2-[(4-dimethylaminophenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium

Systemtic Name: [(2S)-2-[(4-dimethylaminophenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Openeye Name: [(2S)-2-[(4-dimethylaminophenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium CAS Name: [(2S)-2-[(4-dimethylaminophenyl)methyl]-3-(4-methyl-1-piperazin-4-iumyl)propyl]ammonium IUPAC Name: [(2S)-2-[(4-dimethylaminophenyl)methyl]-3-(4-methylpiperazin-4-ium-1-yl)propyl]azanium Traditional Name: [(2S)-2-[4-(dimethylamino)benzyl]-3-(4-methylpiperazin-4-ium-1-yl)propyl]ammonium Formula: C17H32N4+2 MolecularWeight: 292.46278

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC(CC2=CC=C(C=C2)N(C)C)C[NH3+]

Isomeric SMILES

C[NH+]1CCN(CC1)C[C@@H](CC2=CC=C(C=C2)N(C)C)C[NH3+]

InChI

InChI=1S/C17H30N4/c1-19(2)17-6-4-15(5-7-17)12-16(13-18)14-21-10-8-20(3)9-11-21/h4-7,16H,8-14,18H2,1-3H3/p+2/t16-/m0/s1