N-(6-azanylhexyl)-4-[[(2-oxidanylidene-7aH-indol-1-ium-1-ylidene)-phenyl-methyl]amino]benzamide

Systemtic Name: N-(6-azanylhexyl)-4-[[(2-oxidanylidene-7aH-indol-1-ium-1-ylidene)-phenyl-methyl]amino]benzamide Openeye Name: N-(6-aminohexyl)-4-[[(2-oxo-7aH-indol-1-ium-1-ylidene)-phenyl-methyl]amino]benzamide CAS Name: N-(6-aminohexyl)-4-[[(2-oxo-7aH-indol-1-ium-1-ylidene)-phenylmethyl]amino]benzamide IUPAC Name: N-(6-aminohexyl)-4-[[(2-oxo-7aH-indol-1-ium-1-ylidene)-phenylmethyl]amino]benzamide Traditional Name: N-(6-aminohexyl)-4-[[(2-keto-7aH-indol-1-ium-1-ylidene)-phenyl-methyl]amino]benzamide Formula: C28H31N4O2+ MolecularWeight: 455.57134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=[N+]2C3C=CC=CC3=CC2=O)NC4=CC=C(C=C4)C(=O)NCCCCCCN

Isomeric SMILES

C1=CC=C(C=C1)C(=[N+]2C3C=CC=CC3=CC2=O)NC4=CC=C(C=C4)C(=O)NCCCCCCN

InChI

InChI=1S/C28H30N4O2/c29-18-8-1-2-9-19-30-28(34)22-14-16-24(17-15-22)31-27(21-10-4-3-5-11-21)32-25-13-7-6-12-23(25)20-26(32)33/h3-7,10-17,20,25H,1-2,8-9,18-19,29H2,(H,30,34)/p+1