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

Systemtic Name: ethyl N-[10-[2-(4-methylpiperazine-1,4-diium-1-yl)ethanoyl]phenothiazin-2-yl]carbamate Openeye Name: ethyl N-[10-[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]phenothiazin-2-yl]carbamate CAS Name: N-[10-[2-(4-methyl-1-piperazine-1,4-diiumyl)-1-oxoethyl]-2-phenothiazinyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[10-[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]phenothiazin-2-yl]carbamate Traditional Name: N-[10-[2-(4-methylpiperazine-1,4-diium-1-yl)acetyl]phenothiazin-2-yl]carbamic acid ethyl ester Formula: C22H28N4O3S+2 MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3S/c1-3-29-22(28)23-16-8-9-20-18(14-16)26(17-6-4-5-7-19(17)30-20)21(27)15-25-12-10-24(2)11-13-25/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,28)/p+2