N-methyl-10-[2-methyl-4-(trimethylazaniumyl)butan-2-yl]phenothiazine-2-carbonitrilium

Systemtic Name: N-methyl-10-[2-methyl-4-(trimethylazaniumyl)butan-2-yl]phenothiazine-2-carbonitrilium Openeye Name: 10-[1,1-dimethyl-3-(trimethylammonio)propyl]-N-methyl-phenothiazine-2-carbonitrilium CAS Name: N-methyl-10-[2-methyl-4-(trimethylammonio)butan-2-yl]-2-phenothiazinecarbonitrilium IUPAC Name: N-methyl-10-[2-methyl-4-(trimethylazaniumyl)butan-2-yl]phenothiazine-2-carbonitrilium Traditional Name: 10-[1,1-dimethyl-3-(trimethylammonio)propyl]-N-methyl-phenothiazine-2-carbonitrilium Formula: C22H29N3S+2 MolecularWeight: 367.55076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC[N+](C)(C)C)N1C2=CC=CC=C2SC3=C1C=C(C=C3)C#[N+]C

Isomeric SMILES

CC(C)(CC[N+](C)(C)C)N1C2=CC=CC=C2SC3=C1C=C(C=C3)C#[N+]C

InChI

InChI=1S/C22H29N3S/c1-22(2,13-14-25(4,5)6)24-18-9-7-8-10-20(18)26-21-12-11-17(16-23-3)15-19(21)24/h7-12,15H,13-14H2,1-6H3/q+2