(3Z)-1-isoquinolin-2-ium-2-yl-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one chloride

Systemtic Name: (3Z)-1-isoquinolin-2-ium-2-yl-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one chloride Openeye Name: (3Z)-1-isoquinolin-2-ium-2-yl-3-(1,3,3-trimethylindolin-2-ylidene)propan-2-one chloride CAS Name: (3Z)-1-(2-isoquinolin-2-iumyl)-3-(1,3,3-trimethyl-2-indolylidene)-2-propanone chloride IUPAC Name: (3Z)-1-isoquinolin-2-ium-2-yl-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one chloride Traditional Name: (3Z)-1-isoquinolin-2-ium-2-yl-3-(1,3,3-trimethylindolin-2-ylidene)acetone chloride Formula: C23H23ClN2O MolecularWeight: 378.89452

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC(=O)C[N+]3=CC4=CC=CC=C4C=C3)C)C.[Cl-]

Isomeric SMILES

CC\1(C2=CC=CC=C2N(/C1=C\C(=O)C[N+]3=CC4=CC=CC=C4C=C3)C)C.[Cl-]

InChI

InChI=1S/C23H23N2O.ClH/c1-23(2)20-10-6-7-11-21(20)24(3)22(23)14-19(26)16-25-13-12-17-8-4-5-9-18(17)15-25;/h4-15H,16H2,1-3H3;1H/q+1;/p-1/b22-14-;