3-[[(3S)-3-(4-chlorophenyl)-4-phenyl-butyl]azaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3S)-3-(4-chlorophenyl)-4-phenyl-butyl]azaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-3-(4-chlorophenyl)-4-phenyl-butyl]ammonio]propyl-dimethyl-ammonium CAS Name: 3-[[(3S)-3-(4-chlorophenyl)-4-phenylbutyl]ammonio]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-3-(4-chlorophenyl)-4-phenylbutyl]azaniumyl]propyl-dimethylazanium Traditional Name: 3-[[(3S)-3-(4-chlorophenyl)-4-phenyl-butyl]ammonio]propyl-dimethyl-ammonium Formula: C21H31ClN2+2 MolecularWeight: 346.93724

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH2+]CCC(CC1=CC=CC=C1)C2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+](C)CCC[NH2+]CC[C@H](CC1=CC=CC=C1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H29ClN2/c1-24(2)16-6-14-23-15-13-20(17-18-7-4-3-5-8-18)19-9-11-21(22)12-10-19/h3-5,7-12,20,23H,6,13-17H2,1-2H3/p+2/t20-/m1/s1