10-[1-(1-methylpyrrol-1-ium-1-yl)propan-2-yl]-N-propyl-phenothiazine-2-carboximidate

Systemtic Name: 10-[1-(1-methylpyrrol-1-ium-1-yl)propan-2-yl]-N-propyl-phenothiazine-2-carboximidate Openeye Name: 10-[1-methyl-2-(1-methylpyrrol-1-ium-1-yl)ethyl]-N-propyl-phenothiazine-2-carboximidate CAS Name: 10-[1-(1-methyl-1-pyrrol-1-iumyl)propan-2-yl]-N-propyl-2-phenothiazinecarboximidate IUPAC Name: 10-[1-(1-methylpyrrol-1-ium-1-yl)propan-2-yl]-N-propylphenothiazine-2-carboximidate Traditional Name: 10-[1-methyl-2-(1-methylpyrrol-1-ium-1-yl)ethyl]-N-propyl-phenothiazine-2-carboximidate Formula: C24H27N3OS MolecularWeight: 405.55568

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Descriptors Computed from Structure

Canonical SMILES:

CCCN=C(C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(C)C[N+]4(C=CC=C4)C)[O-]

Isomeric SMILES

CCCN=C(C1=CC2=C(C=C1)SC3=CC=CC=C3N2C(C)C[N+]4(C=CC=C4)C)[O-]

InChI

InChI=1S/C24H27N3OS/c1-4-13-25-24(28)19-11-12-23-21(16-19)26(20-9-5-6-10-22(20)29-23)18(2)17-27(3)14-7-8-15-27/h5-12,14-16,18H,4,13,17H2,1-3H3