N-[4-azanyl-3-[[ethanoyl-(4-hydroxyphenyl)amino]methyl]phenyl]-N,1,2-trimethyl-indol-1-ium-1-carboxamide

Systemtic Name: N-[4-azanyl-3-[[ethanoyl-(4-hydroxyphenyl)amino]methyl]phenyl]-N,1,2-trimethyl-indol-1-ium-1-carboxamide Openeye Name: N-[3-[(N-acetyl-4-hydroxy-anilino)methyl]-4-amino-phenyl]-N,1,2-trimethyl-indol-1-ium-1-carboxamide CAS Name: N-[3-[(N-acetyl-4-hydroxyanilino)methyl]-4-aminophenyl]-N,1,2-trimethyl-1-indol-1-iumcarboxamide IUPAC Name: N-[3-[(N-acetyl-4-hydroxyanilino)methyl]-4-aminophenyl]-N,1,2-trimethylindol-1-ium-1-carboxamide Traditional Name: N-[3-[(N-acetyl-4-hydroxy-anilino)methyl]-4-amino-phenyl]-N,1,2-trimethyl-indol-1-ium-1-carboxamide Formula: C27H29N4O3+ MolecularWeight: 457.54416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2[N+]1(C)C(=O)N(C)C3=CC(=C(C=C3)N)CN(C4=CC=C(C=C4)O)C(=O)C

Isomeric SMILES

CC1=CC2=CC=CC=C2[N+]1(C)C(=O)N(C)C3=CC(=C(C=C3)N)CN(C4=CC=C(C=C4)O)C(=O)C

InChI

InChI=1S/C27H28N4O3/c1-18-15-20-7-5-6-8-26(20)31(18,4)27(34)29(3)23-11-14-25(28)21(16-23)17-30(19(2)32)22-9-12-24(33)13-10-22/h5-16H,17,28H2,1-4H3/p+1