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

Systemtic Name: N,N-dihexyl-7-piperidin-1-ium-1-ylidene-phenoxazin-3-amine Openeye Name: N,N-dihexyl-7-piperidin-1-ium-1-ylidene-phenoxazin-3-amine CAS Name: N,N-dihexyl-7-(1-piperidin-1-iumylidene)-3-phenoxazinamine IUPAC Name: N,N-dihexyl-7-piperidin-1-ium-1-ylidenephenoxazin-3-amine Traditional Name: dihexyl-(7-piperidin-1-ium-1-ylidenephenoxazin-3-yl)amine Formula: C29H42N3O+ MolecularWeight: 448.66328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C1=CC2=C(C=C1)N=C3C=CC(=[N+]4CCCCC4)C=C3O2

Isomeric SMILES

CCCCCCN(CCCCCC)C1=CC2=C(C=C1)N=C3C=CC(=[N+]4CCCCC4)C=C3O2

InChI

InChI=1S/C29H42N3O/c1-3-5-7-10-18-31(19-11-8-6-4-2)24-14-16-26-28(22-24)33-29-23-25(15-17-27(29)30-26)32-20-12-9-13-21-32/h14-17,22-23H,3-13,18-21H2,1-2H3/q+1