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

Systemtic Name: 2-chloranyl-10-[3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl]phenothiazine Openeye Name: 2-chloro-10-[3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl]phenothiazine CAS Name: 2-chloro-10-[3-(1,4,4-trimethyl-1-piperazine-1,4-diiumyl)propyl]phenothiazine IUPAC Name: 2-chloro-10-[3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl]phenothiazine Traditional Name: 2-chloro-10-[3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl]phenothiazine Formula: C22H30ClN3S+2 MolecularWeight: 404.0117

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClN3S/c1-25(2)13-15-26(3,16-14-25)12-6-11-24-19-7-4-5-8-21(19)27-22-10-9-18(23)17-20(22)24/h4-5,7-10,17H,6,11-16H2,1-3H3/q+2