4-[(E)-4-chloranylpent-2-enyl]-4-(3-naphthalen-1-ylprop-2-ynyl)morpholin-4-ium chloride

Systemtic Name: 4-[(E)-4-chloranylpent-2-enyl]-4-(3-naphthalen-1-ylprop-2-ynyl)morpholin-4-ium chloride Openeye Name: 4-[(E)-4-chloropent-2-enyl]-4-[3-(1-naphthyl)prop-2-ynyl]morpholin-4-ium chloride CAS Name: 4-[(E)-4-chloropent-2-enyl]-4-[3-(1-naphthalenyl)prop-2-ynyl]morpholin-4-ium chloride IUPAC Name: 4-[(E)-4-chloropent-2-enyl]-4-(3-naphthalen-1-ylprop-2-ynyl)morpholin-4-ium chloride Traditional Name: 4-[(E)-4-chloropent-2-enyl]-4-[3-(1-naphthyl)prop-2-ynyl]morpholin-4-ium chloride Formula: C22H25Cl2NO MolecularWeight: 390.346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC[N+]1(CCOCC1)CC#CC2=CC=CC3=CC=CC=C32)Cl.[Cl-]

Isomeric SMILES

CC(/C=C/C[N+]1(CCOCC1)CC#CC2=CC=CC3=CC=CC=C32)Cl.[Cl-]

InChI

InChI=1S/C22H25ClNO.ClH/c1-19(23)7-5-13-24(15-17-25-18-16-24)14-6-11-21-10-4-9-20-8-2-3-12-22(20)21;/h2-5,7-10,12,19H,13-18H2,1H3;1H/q+1;/p-1/b7-5+;