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11-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]undecanoic acid
11-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]undecanoic acid
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCCCCCCCCC(=O)O)N
Isomeric SMILES
C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCCCCCCCCC(=O)O)N
InChI
InChI=1S/C25H33N3O2/c26-25-27(19-13-6-4-2-1-3-5-10-18-24(29)30)22-16-11-12-17-23(22)28(25)20-21-14-8-7-9-15-21/h7-9,11-12,14-17,26H,1-6,10,13,18-20H2,(H,29,30)/p+1
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