2-carboxybenzoate; 2-(2-cyanophenothiazin-10-yl)propyl-(1-phenylethyl)azanium

Systemtic Name: 2-carboxybenzoate; 2-(2-cyanophenothiazin-10-yl)propyl-(1-phenylethyl)azanium Openeye Name: 2-carboxybenzoate; 2-(2-cyanophenothiazin-10-yl)propyl-(1-phenylethyl)ammonium CAS Name: 2-carboxybenzoate; 2-(2-cyano-10-phenothiazinyl)propyl-(1-phenylethyl)ammonium IUPAC Name: 2-carboxybenzoate; 2-(2-cyanophenothiazin-10-yl)propyl-(1-phenylethyl)azanium Traditional Name: 2-carboxybenzoate; 2-(2-cyanophenothiazin-10-yl)propyl-(1-phenylethyl)ammonium Formula: C32H29N3O4S MolecularWeight: 551.65536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH2+]C(C)C1=CC=CC=C1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C#N.C1=CC=C(C(=C1)C(=O)O)C(=O)[O-]

Isomeric SMILES

CC(C[NH2+]C(C)C1=CC=CC=C1)N2C3=CC=CC=C3SC4=C2C=C(C=C4)C#N.C1=CC=C(C(=C1)C(=O)O)C(=O)[O-]

InChI

InChI=1S/C24H23N3S.C8H6O4/c1-17(16-26-18(2)20-8-4-3-5-9-20)27-21-10-6-7-11-23(21)28-24-13-12-19(15-25)14-22(24)27;9-7(10)5-3-1-2-4-6(5)8(11)12/h3-14,17-18,26H,16H2,1-2H3;1-4H,(H,9,10)(H,11,12)