2-[4-[(4-carbamimidoyl-1-methyl-2-propyl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(4-carbamimidoyl-1-methyl-2-propyl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(4-carbamimidoyl-1-methyl-2-propyl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(4-carbamimidoyl-1-methyl-2-propyl-1-benzimidazol-1-iumyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(4-carbamimidoyl-1-methyl-2-propylbenzimidazol-1-ium-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(4-amidino-1-methyl-2-propyl-benzimidazol-1-ium-1-yl)methyl]phenyl]benzoic acid Formula: C26H27N4O2+ MolecularWeight: 427.51818

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C(=N)N

Isomeric SMILES

CCCC1=NC2=C(C=CC=C2[N+]1(C)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C(=N)N

InChI

InChI=1S/C26H26N4O2/c1-3-7-23-29-24-21(25(27)28)10-6-11-22(24)30(23,2)16-17-12-14-18(15-13-17)19-8-4-5-9-20(19)26(31)32/h4-6,8-15H,3,7,16H2,1-2H3,(H3-,27,28,31,32)/p+1