ethyl N-[10-[3-(4-methylpiperazin-4-ium-1-yl)propanoyl]phenothiazin-2-yl]carbamate

Systemtic Name: ethyl N-[10-[3-(4-methylpiperazin-4-ium-1-yl)propanoyl]phenothiazin-2-yl]carbamate Openeye Name: ethyl N-[10-[3-(4-methylpiperazin-4-ium-1-yl)propanoyl]phenothiazin-2-yl]carbamate CAS Name: N-[10-[3-(4-methyl-1-piperazin-4-iumyl)-1-oxopropyl]-2-phenothiazinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[10-[3-(4-methylpiperazin-4-ium-1-yl)propanoyl]phenothiazin-2-yl]carbamate Traditional Name: N-[10-[3-(4-methylpiperazin-4-ium-1-yl)propanoyl]phenothiazin-2-yl]carbamic acid ethyl ester Formula: C23H29N4O3S+ MolecularWeight: 441.56636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CCN4CC[NH+](CC4)C

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CCN4CC[NH+](CC4)C

InChI

InChI=1S/C23H28N4O3S/c1-3-30-23(29)24-17-8-9-21-19(16-17)27(18-6-4-5-7-20(18)31-21)22(28)10-11-26-14-12-25(2)13-15-26/h4-9,16H,3,10-15H2,1-2H3,(H,24,29)/p+1