3-(2-chloranylphenothiazin-10-yl)propyl-dimethyl-[[4-(phenylmethyl)phenyl]methyl]azanium

Systemtic Name: 3-(2-chloranylphenothiazin-10-yl)propyl-dimethyl-[[4-(phenylmethyl)phenyl]methyl]azanium Openeye Name: (4-benzylphenyl)methyl-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium CAS Name: 3-(2-chloro-10-phenothiazinyl)propyl-dimethyl-[[4-(phenylmethyl)phenyl]methyl]ammonium IUPAC Name: (4-benzylphenyl)methyl-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethylazanium Traditional Name: (4-benzylbenzyl)-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium Formula: C31H32ClN2S+ MolecularWeight: 500.11718

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)CC4=CC=C(C=C4)CC5=CC=CC=C5

Isomeric SMILES

C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)CC4=CC=C(C=C4)CC5=CC=CC=C5

InChI

InChI=1S/C31H32ClN2S/c1-34(2,23-26-15-13-25(14-16-26)21-24-9-4-3-5-10-24)20-8-19-33-28-11-6-7-12-30(28)35-31-18-17-27(32)22-29(31)33/h3-7,9-18,22H,8,19-21,23H2,1-2H3/q+1