ethyl 2-[8-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[8-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[8-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-indol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]acetate CAS Name: 2-[8-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-indolyl]sulfamoyl]-1-quinolin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[8-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylindol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]acetate Traditional Name: 2-[8-[[2-(4-amidinobenzyl)-1-methyl-indol-5-yl]sulfamoyl]quinolin-1-ium-1-yl]acetic acid ethyl ester Formula: C30H30N5O4S+ MolecularWeight: 556.6553

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=CC2=C1C(=CC=C2)S(=O)(=O)NC3=CC4=C(C=C3)N(C(=C4)CC5=CC=C(C=C5)C(=N)N)C

Isomeric SMILES

CCOC(=O)C[N+]1=CC=CC2=C1C(=CC=C2)S(=O)(=O)NC3=CC4=C(C=C3)N(C(=C4)CC5=CC=C(C=C5)C(=N)N)C

InChI

InChI=1S/C30H30N5O4S/c1-3-39-28(36)19-35-15-5-7-21-6-4-8-27(29(21)35)40(37,38)33-24-13-14-26-23(17-24)18-25(34(26)2)16-20-9-11-22(12-10-20)30(31)32/h4-15,17-18,33H,3,16,19H2,1-2H3,(H3,31,32)/q+1