[7-(2-ethylpiperidin-1-yl)phenothiazin-3-ylidene]-dipentyl-azanium

Systemtic Name: [7-(2-ethylpiperidin-1-yl)phenothiazin-3-ylidene]-dipentyl-azanium Openeye Name: [7-(2-ethyl-1-piperidyl)phenothiazin-3-ylidene]-dipentyl-ammonium CAS Name: [7-(2-ethyl-1-piperidinyl)-3-phenothiazinylidene]-dipentylammonium IUPAC Name: [7-(2-ethylpiperidin-1-yl)phenothiazin-3-ylidene]-dipentylazanium Traditional Name: diamyl-[7-(2-ethylpiperidino)phenothiazin-3-ylidene]ammonium Formula: C29H42N3S+ MolecularWeight: 464.72888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+](=C1C=CC2=NC3=C(C=C(C=C3)N4CCCCC4CC)SC2=C1)CCCCC

Isomeric SMILES

CCCCC[N+](=C1C=CC2=NC3=C(C=C(C=C3)N4CCCCC4CC)SC2=C1)CCCCC

InChI

InChI=1S/C29H42N3S/c1-4-7-10-18-31(19-11-8-5-2)24-14-16-26-28(21-24)33-29-22-25(15-17-27(29)30-26)32-20-12-9-13-23(32)6-3/h14-17,21-23H,4-13,18-20H2,1-3H3/q+1