3-(1-azanyl-1-phenethyl-benzimidazol-1-ium-2-yl)propanoic acid

Systemtic Name: 3-(1-azanyl-1-phenethyl-benzimidazol-1-ium-2-yl)propanoic acid Openeye Name: 3-(1-amino-1-phenethyl-benzimidazol-1-ium-2-yl)propanoic acid CAS Name: 3-(1-amino-1-phenethyl-2-benzimidazol-1-iumyl)propanoic acid IUPAC Name: 3-(1-amino-1-phenethylbenzimidazol-1-ium-2-yl)propanoic acid Traditional Name: 3-(1-amino-1-phenethyl-benzimidazol-1-ium-2-yl)propionic acid Formula: C18H20N3O2+ MolecularWeight: 310.3703

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[N+]2(C3=CC=CC=C3N=C2CCC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC[N+]2(C3=CC=CC=C3N=C2CCC(=O)O)N

InChI

InChI=1S/C18H19N3O2/c19-21(13-12-14-6-2-1-3-7-14)16-9-5-4-8-15(16)20-17(21)10-11-18(22)23/h1-9H,10-13,19H2/p+1