dimethyl-octyl-[2-[4-[1-phenyl-2-(phenylmethyl)but-3-enyl]piperazin-1-yl]ethyl]azanium

Systemtic Name: dimethyl-octyl-[2-[4-[1-phenyl-2-(phenylmethyl)but-3-enyl]piperazin-1-yl]ethyl]azanium Openeye Name: 2-[4-(2-benzyl-1-phenyl-but-3-enyl)piperazin-1-yl]ethyl-dimethyl-octyl-ammonium CAS Name: dimethyl-octyl-[2-[4-[1-phenyl-2-(phenylmethyl)but-3-enyl]-1-piperazinyl]ethyl]ammonium IUPAC Name: 2-[4-(2-benzyl-1-phenylbut-3-enyl)piperazin-1-yl]ethyl-dimethyl-octylazanium Traditional Name: 2-[4-(2-benzyl-1-phenyl-but-3-enyl)piperazino]ethyl-dimethyl-octyl-ammonium Formula: C33H52N3+ MolecularWeight: 490.78608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(C)CCN1CCN(CC1)C(C2=CC=CC=C2)C(CC3=CC=CC=C3)C=C

Isomeric SMILES

CCCCCCCC[N+](C)(C)CCN1CCN(CC1)C(C2=CC=CC=C2)C(CC3=CC=CC=C3)C=C

InChI

InChI=1S/C33H52N3/c1-5-7-8-9-10-17-27-36(3,4)28-26-34-22-24-35(25-23-34)33(32-20-15-12-16-21-32)31(6-2)29-30-18-13-11-14-19-30/h6,11-16,18-21,31,33H,2,5,7-10,17,22-29H2,1,3-4H3/q+1