[(1S)-1-(4-bromophenyl)propyl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]azanium

Systemtic Name: [(1S)-1-(4-bromophenyl)propyl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]azanium Openeye Name: [(1S)-1-(4-bromophenyl)propyl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]ammonium CAS Name: [(1S)-1-(4-bromophenyl)propyl]-[3-(4-methyl-1-piperidin-1-iumyl)propyl]ammonium IUPAC Name: [(1S)-1-(4-bromophenyl)propyl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]azanium Traditional Name: [(1S)-1-(4-bromophenyl)propyl]-[3-(4-methylpiperidin-1-ium-1-yl)propyl]ammonium Formula: C18H31BrN2+2 MolecularWeight: 355.35614

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)[NH2+]CCC[NH+]2CCC(CC2)C

Isomeric SMILES

CC[C@@H](C1=CC=C(C=C1)Br)[NH2+]CCC[NH+]2CCC(CC2)C

InChI

InChI=1S/C18H29BrN2/c1-3-18(16-5-7-17(19)8-6-16)20-11-4-12-21-13-9-15(2)10-14-21/h5-8,15,18,20H,3-4,9-14H2,1-2H3/p+2/t18-/m0/s1