ethyl N-[10-[3-(4-methylpiperazine-1,4-diium-1-yl)propanoyl]phenothiazin-2-yl]carbamate

Systemtic Name: ethyl N-[10-[3-(4-methylpiperazine-1,4-diium-1-yl)propanoyl]phenothiazin-2-yl]carbamate Openeye Name: ethyl N-[10-[3-(4-methylpiperazine-1,4-diium-1-yl)propanoyl]phenothiazin-2-yl]carbamate CAS Name: N-[10-[3-(4-methyl-1-piperazine-1,4-diiumyl)-1-oxopropyl]-2-phenothiazinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[10-[3-(4-methylpiperazine-1,4-diium-1-yl)propanoyl]phenothiazin-2-yl]carbamate Traditional Name: N-[10-[3-(4-methylpiperazine-1,4-diium-1-yl)propanoyl]phenothiazin-2-yl]carbamic acid ethyl ester Formula: C23H30N4O3S+2 MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)SC3=CC=CC=C3N2C(=O)CC[NH+]4CC[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+2