10-[4-[4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]butyl]phenothiazine

Systemtic Name: 10-[4-[4-[1-(phenylmethyl)pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]butyl]phenothiazine Openeye Name: 10-[4-[4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]phenothiazine CAS Name: 10-[4-[4-[1-(phenylmethyl)-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]butyl]phenothiazine IUPAC Name: 10-[4-[4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]phenothiazine Traditional Name: 10-[4-[4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]phenothiazine Formula: C33H31N3S+2 MolecularWeight: 501.68434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CCCCN4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CCCCN4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C33H31N3S/c1-2-10-27(11-3-1)26-35-24-18-29(19-25-35)28-16-22-34(23-17-28)20-8-9-21-36-30-12-4-6-14-32(30)37-33-15-7-5-13-31(33)36/h1-7,10-19,22-25H,8-9,20-21,26H2/q+2