N,N-dipentyl-7-piperidin-1-ium-1-ylidene-phenoxazin-3-amine

Systemtic Name: N,N-dipentyl-7-piperidin-1-ium-1-ylidene-phenoxazin-3-amine Openeye Name: N,N-dipentyl-7-piperidin-1-ium-1-ylidene-phenoxazin-3-amine CAS Name: N,N-dipentyl-7-(1-piperidin-1-iumylidene)-3-phenoxazinamine IUPAC Name: N,N-dipentyl-7-piperidin-1-ium-1-ylidenephenoxazin-3-amine Traditional Name: diamyl-(7-piperidin-1-ium-1-ylidenephenoxazin-3-yl)amine Formula: C27H38N3O+ MolecularWeight: 420.61012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C1=CC2=C(C=C1)N=C3C=CC(=[N+]4CCCCC4)C=C3O2

Isomeric SMILES

CCCCCN(CCCCC)C1=CC2=C(C=C1)N=C3C=CC(=[N+]4CCCCC4)C=C3O2

InChI

InChI=1S/C27H38N3O/c1-3-5-8-16-29(17-9-6-4-2)22-12-14-24-26(20-22)31-27-21-23(13-15-25(27)28-24)30-18-10-7-11-19-30/h12-15,20-21H,3-11,16-19H2,1-2H3/q+1