7-morpholin-4-ium-4-ylidene-N,N-dipentyl-phenothiazin-3-amine

Systemtic Name: 7-morpholin-4-ium-4-ylidene-N,N-dipentyl-phenothiazin-3-amine Openeye Name: 7-morpholin-4-ium-4-ylidene-N,N-dipentyl-phenothiazin-3-amine CAS Name: 7-(4-morpholin-4-iumylidene)-N,N-dipentyl-3-phenothiazinamine IUPAC Name: 7-morpholin-4-ium-4-ylidene-N,N-dipentylphenothiazin-3-amine Traditional Name: diamyl-(7-morpholin-4-ium-4-ylidenephenothiazin-3-yl)amine Formula: C26H36N3OS+ MolecularWeight: 438.64854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C1=CC2=C(C=C1)N=C3C=CC(=[N+]4CCOCC4)C=C3S2

Isomeric SMILES

CCCCCN(CCCCC)C1=CC2=C(C=C1)N=C3C=CC(=[N+]4CCOCC4)C=C3S2

InChI

InChI=1S/C26H36N3OS/c1-3-5-7-13-28(14-8-6-4-2)21-9-11-23-25(19-21)31-26-20-22(10-12-24(26)27-23)29-15-17-30-18-16-29/h9-12,19-20H,3-8,13-18H2,1-2H3/q+1