N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propan-1-amine

Systemtic Name: N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propan-1-amine Openeye Name: N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propan-1-amine CAS Name: N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-(4-methyl-1-piperazin-1-iumyl)-1-propanamine IUPAC Name: N-[(1S)-1-(4-bromophenyl)ethyl]-2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propan-1-amine Traditional Name: [(1S)-1-(4-bromophenyl)ethyl]-[2-methyl-2-(4-methylpiperazin-1-ium-1-yl)propyl]amine Formula: C17H29BrN3+ MolecularWeight: 355.33626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)NCC(C)(C)[NH+]2CCN(CC2)C

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)Br)NCC(C)(C)[NH+]2CCN(CC2)C

InChI

InChI=1S/C17H28BrN3/c1-14(15-5-7-16(18)8-6-15)19-13-17(2,3)21-11-9-20(4)10-12-21/h5-8,14,19H,9-13H2,1-4H3/p+1/t14-/m0/s1