5-azanyl-3-methylidene-1-phenyl-1-[[4-(piperidin-1-ylmethyl)phenyl]amino]indol-1-ium-2-one

Systemtic Name: 5-azanyl-3-methylidene-1-phenyl-1-[[4-(piperidin-1-ylmethyl)phenyl]amino]indol-1-ium-2-one Openeye Name: 5-amino-3-methylene-1-phenyl-1-[4-(1-piperidylmethyl)anilino]indolin-1-ium-2-one CAS Name: 5-amino-3-methylene-1-phenyl-1-[4-(1-piperidinylmethyl)anilino]-2-indol-1-iumone IUPAC Name: 5-amino-3-methylidene-1-phenyl-1-[4-(piperidin-1-ylmethyl)anilino]indol-1-ium-2-one Traditional Name: 5-amino-3-methylene-1-phenyl-1-[4-(piperidinomethyl)anilino]indolin-1-ium-2-one Formula: C27H29N4O+ MolecularWeight: 425.54536

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C2=C(C=CC(=C2)N)[N+](C1=O)(C3=CC=CC=C3)NC4=CC=C(C=C4)CN5CCCCC5

Isomeric SMILES

C=C1C2=C(C=CC(=C2)N)[N+](C1=O)(C3=CC=CC=C3)NC4=CC=C(C=C4)CN5CCCCC5

InChI

InChI=1S/C27H29N4O/c1-20-25-18-22(28)12-15-26(25)31(27(20)32,24-8-4-2-5-9-24)29-23-13-10-21(11-14-23)19-30-16-6-3-7-17-30/h2,4-5,8-15,18,29H,1,3,6-7,16-17,19,28H2/q+1