4-[1-[1-(2-cyclopentylethanoylamino)indol-1-ium-1-yl]ethyl]benzoic acid

Systemtic Name: 4-[1-[1-(2-cyclopentylethanoylamino)indol-1-ium-1-yl]ethyl]benzoic acid Openeye Name: 4-[1-[1-[(2-cyclopentylacetyl)amino]indol-1-ium-1-yl]ethyl]benzoic acid CAS Name: 4-[1-[1-[(2-cyclopentyl-1-oxoethyl)amino]-1-indol-1-iumyl]ethyl]benzoic acid IUPAC Name: 4-[1-[1-[(2-cyclopentylacetyl)amino]indol-1-ium-1-yl]ethyl]benzoic acid Traditional Name: 4-[1-[1-[(2-cyclopentylacetyl)amino]indol-1-ium-1-yl]ethyl]benzoic acid Formula: C24H27N2O3+ MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)O)[N+]2(C=CC3=CC=CC=C32)NC(=O)CC4CCCC4

Isomeric SMILES

CC(C1=CC=C(C=C1)C(=O)O)[N+]2(C=CC3=CC=CC=C32)NC(=O)CC4CCCC4

InChI

InChI=1S/C24H26N2O3/c1-17(19-10-12-21(13-11-19)24(28)29)26(15-14-20-8-4-5-9-22(20)26)25-23(27)16-18-6-2-3-7-18/h4-5,8-15,17-18H,2-3,6-7,16H2,1H3,(H-,25,27,28,29)/p+1