N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]-2-naphthalen-1-yloxy-ethanamide

Systemtic Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-indol-3-ylidene]amino]-2-naphthalen-1-yloxy-ethanamide Openeye Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-2-oxo-indolin-3-ylidene]amino]-2-(1-naphthyloxy)acetamide CAS Name: N-[(E)-[1-(1-azepan-1-iumylmethyl)-2-oxo-3-indolylidene]amino]-2-(1-naphthalenyloxy)acetamide IUPAC Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-2-oxoindol-3-ylidene]amino]-2-naphthalen-1-yloxyacetamide Traditional Name: N-[(E)-[1-(azepan-1-ium-1-ylmethyl)-2-keto-indolin-3-ylidene]amino]-2-(1-naphthoxy)acetamide Formula: C27H29N4O3+ MolecularWeight: 457.54416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CN2C3=CC=CC=C3C(=NNC(=O)COC4=CC=CC5=CC=CC=C54)C2=O

Isomeric SMILES

C1CCC[NH+](CC1)CN2C3=CC=CC=C3/C(=N\NC(=O)COC4=CC=CC5=CC=CC=C54)/C2=O

InChI

InChI=1S/C27H28N4O3/c32-25(18-34-24-15-9-11-20-10-3-4-12-21(20)24)28-29-26-22-13-5-6-14-23(22)31(27(26)33)19-30-16-7-1-2-8-17-30/h3-6,9-15H,1-2,7-8,16-19H2,(H,28,32)/p+1/b29-26+