ethyl N-[10-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanoyl]phenothiazin-2-yl]carbamate

Systemtic Name: ethyl N-[10-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]ethanoyl]phenothiazin-2-yl]carbamate Openeye Name: ethyl N-[10-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetyl]phenothiazin-2-yl]carbamate CAS Name: N-[10-[2-[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]-1-oxoethyl]-2-phenothiazinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[10-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetyl]phenothiazin-2-yl]carbamate Traditional Name: N-[10-[2-[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]acetyl]phenothiazin-2-yl]carbamic acid ethyl ester Formula: C23H29N4O4S+ MolecularWeight: 457.56576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)C[NH+]4CCN(CC4)CCO

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)C[NH+]4CCN(CC4)CCO

InChI

InChI=1S/C23H28N4O4S/c1-2-31-23(30)24-17-7-8-21-19(15-17)27(18-5-3-4-6-20(18)32-21)22(29)16-26-11-9-25(10-12-26)13-14-28/h3-8,15,28H,2,9-14,16H2,1H3,(H,24,30)/p+1