1-[(Z)-3-chloranylbut-2-enyl]-1-(3-naphthalen-1-ylprop-2-ynyl)pyrrolidin-1-ium chloride

Systemtic Name: 1-[(Z)-3-chloranylbut-2-enyl]-1-(3-naphthalen-1-ylprop-2-ynyl)pyrrolidin-1-ium chloride Openeye Name: 1-[(Z)-3-chlorobut-2-enyl]-1-[3-(1-naphthyl)prop-2-ynyl]pyrrolidin-1-ium chloride CAS Name: 1-[(Z)-3-chlorobut-2-enyl]-1-[3-(1-naphthalenyl)prop-2-ynyl]pyrrolidin-1-ium chloride IUPAC Name: 1-[(Z)-3-chlorobut-2-enyl]-1-(3-naphthalen-1-ylprop-2-ynyl)pyrrolidin-1-ium chloride Traditional Name: 1-[(Z)-3-chlorobut-2-enyl]-1-[3-(1-naphthyl)prop-2-ynyl]pyrrolidin-1-ium chloride Formula: C21H23Cl2N MolecularWeight: 360.32002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[N+]1(CCCC1)CC#CC2=CC=CC3=CC=CC=C32)Cl.[Cl-]

Isomeric SMILES

C/C(=C/C[N+]1(CCCC1)CC#CC2=CC=CC3=CC=CC=C32)/Cl.[Cl-]

InChI

InChI=1S/C21H23ClN.ClH/c1-18(22)13-17-23(14-4-5-15-23)16-7-11-20-10-6-9-19-8-2-3-12-21(19)20;/h2-3,6,8-10,12-13H,4-5,14-17H2,1H3;1H/q+1;/p-1/b18-13-;