4-azanylbutanoate; 2-[4-[3-(2-chloranylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol

Systemtic Name: 4-azanylbutanoate; 2-[4-[3-(2-chloranylphenothiazin-10-yl)propyl]piperazin-1-yl]ethanol Openeye Name: 4-aminobutanoate; 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol CAS Name: 4-aminobutanoate; 2-[4-[3-(2-chloro-10-phenothiazinyl)propyl]-1-piperazinyl]ethanol IUPAC Name: 4-aminobutanoate; 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol Traditional Name: 4-aminobutyrate; 2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazino]ethanol Formula: C25H34ClN4O3S- MolecularWeight: 506.08046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.C(CC(=O)[O-])CN

Isomeric SMILES

C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.C(CC(=O)[O-])CN

InChI

InChI=1S/C21H26ClN3OS.C4H9NO2/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26;5-3-1-2-4(6)7/h1-2,4-7,16,26H,3,8-15H2;1-3,5H2,(H,6,7)/p-1