[4-[[[1-[(3-carbamimidoylphenyl)methyl]-5-fluoranyl-indol-2-yl]carbonylamino]methyl]phenyl]-dimethyl-prop-2-enyl-azanium

Systemtic Name: [4-[[[1-[(3-carbamimidoylphenyl)methyl]-5-fluoranyl-indol-2-yl]carbonylamino]methyl]phenyl]-dimethyl-prop-2-enyl-azanium Openeye Name: allyl-[4-[[[1-[(3-carbamimidoylphenyl)methyl]-5-fluoro-indole-2-carbonyl]amino]methyl]phenyl]-dimethyl-ammonium CAS Name: [4-[[[[1-[(3-carbamimidoylphenyl)methyl]-5-fluoro-2-indolyl]-oxomethyl]amino]methyl]phenyl]-dimethyl-prop-2-enylammonium IUPAC Name: [4-[[[1-[(3-carbamimidoylphenyl)methyl]-5-fluoroindole-2-carbonyl]amino]methyl]phenyl]-dimethyl-prop-2-enylazanium Traditional Name: allyl-[4-[[[1-(3-amidinobenzyl)-5-fluoro-indole-2-carbonyl]amino]methyl]phenyl]-dimethyl-ammonium Formula: C29H31FN5O+ MolecularWeight: 484.587743

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC=C)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C(=N)N)C=CC(=C3)F

Isomeric SMILES

C[N+](C)(CC=C)C1=CC=C(C=C1)CNC(=O)C2=CC3=C(N2CC4=CC=CC(=C4)C(=N)N)C=CC(=C3)F

InChI

InChI=1S/C29H30FN5O/c1-4-14-35(2,3)25-11-8-20(9-12-25)18-33-29(36)27-17-23-16-24(30)10-13-26(23)34(27)19-21-6-5-7-22(15-21)28(31)32/h4-13,15-17H,1,14,18-19H2,2-3H3,(H3-,31,32,33,36)/p+1