N-(3-chloranylpropyl)-3-phenothiazin-10-yl-propan-1-amine; ethanedioate

Systemtic Name: N-(3-chloranylpropyl)-3-phenothiazin-10-yl-propan-1-amine; ethanedioate Openeye Name: N-(3-chloropropyl)-3-phenothiazin-10-yl-propan-1-amine; oxalate CAS Name: N-(3-chloropropyl)-3-(10-phenothiazinyl)-1-propanamine; oxalate IUPAC Name: N-(3-chloropropyl)-3-phenothiazin-10-ylpropan-1-amine; oxalate Traditional Name: 3-chloropropyl(3-phenothiazin-10-ylpropyl)amine; oxalate Formula: C20H21ClN2O4S-2 MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCCNCCCCl.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCCNCCCCl.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C18H21ClN2S.C2H2O4/c19-11-5-12-20-13-6-14-21-15-7-1-3-9-17(15)22-18-10-4-2-8-16(18)21;3-1(4)2(5)6/h1-4,7-10,20H,5-6,11-14H2;(H,3,4)(H,5,6)/p-2