2-chloranyl-10-[3-(4,4-dimethylpiperazine-1,4-diium-1-yl)propyl]phenothiazine

Systemtic Name: 2-chloranyl-10-[3-(4,4-dimethylpiperazine-1,4-diium-1-yl)propyl]phenothiazine Openeye Name: 2-chloro-10-[3-(4,4-dimethylpiperazine-1,4-diium-1-yl)propyl]phenothiazine CAS Name: 2-chloro-10-[3-(4,4-dimethyl-1-piperazine-1,4-diiumyl)propyl]phenothiazine IUPAC Name: 2-chloro-10-[3-(4,4-dimethylpiperazine-1,4-diium-1-yl)propyl]phenothiazine Traditional Name: 2-chloro-10-[3-(4,4-dimethylpiperazine-1,4-diium-1-yl)propyl]phenothiazine Formula: C21H28ClN3S+2 MolecularWeight: 389.98512

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC[NH+](CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C

Isomeric SMILES

C[N+]1(CC[NH+](CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C

InChI

InChI=1S/C21H27ClN3S/c1-25(2)14-12-23(13-15-25)10-5-11-24-18-6-3-4-7-20(18)26-21-9-8-17(22)16-19(21)24/h3-4,6-9,16H,5,10-15H2,1-2H3/q+1/p+1