10-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propyl]phenothiazine

Systemtic Name: 10-[3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propyl]phenothiazine Openeye Name: 10-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]phenothiazine CAS Name: 10-[3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propyl]phenothiazine IUPAC Name: 10-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]phenothiazine Traditional Name: 10-[3-(4-benzylpiperazin-1-ium-1-yl)propyl]phenothiazine Formula: C26H30N3S+ MolecularWeight: 416.6015

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCN2C3=CC=CC=C3SC4=CC=CC=C42)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCCN2C3=CC=CC=C3SC4=CC=CC=C42)CC5=CC=CC=C5

InChI

InChI=1S/C26H29N3S/c1-2-9-22(10-3-1)21-28-19-17-27(18-20-28)15-8-16-29-23-11-4-6-13-25(23)30-26-14-7-5-12-24(26)29/h1-7,9-14H,8,15-21H2/p+1