2-chloranyl-N-[3-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-1-ium-1-yl]prop-2-ynyl]ethanamide

Systemtic Name: 2-chloranyl-N-[3-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-1-ium-1-yl]prop-2-ynyl]ethanamide Openeye Name: 2-chloro-N-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-1-ium-1-yl]prop-2-ynyl]acetamide CAS Name: 2-chloro-N-[3-[4-(3-methyl-4-phenoxyanilino)-1-quinazolin-1-iumyl]prop-2-ynyl]acetamide IUPAC Name: 2-chloro-N-[3-[4-(3-methyl-4-phenoxyanilino)quinazolin-1-ium-1-yl]prop-2-ynyl]acetamide Traditional Name: 2-chloro-N-[3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-1-ium-1-yl]prop-2-ynyl]acetamide Formula: C26H22ClN4O2+ MolecularWeight: 457.93148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=[N+](C3=CC=CC=C32)C#CCNC(=O)CCl)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=[N+](C3=CC=CC=C32)C#CCNC(=O)CCl)OC4=CC=CC=C4

InChI

InChI=1S/C26H21ClN4O2/c1-19-16-20(12-13-24(19)33-21-8-3-2-4-9-21)30-26-22-10-5-6-11-23(22)31(18-29-26)15-7-14-28-25(32)17-27/h2-6,8-13,16,18H,14,17H2,1H3,(H,28,32)/p+1