ethyl 2-[2-azanyl-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-azanyl-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]acetate CAS Name: 2-[2-amino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazol-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]acetate Traditional Name: 2-[2-amino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-ium-1-yl]acetic acid ethyl ester Formula: C18H28N4O2+2 MolecularWeight: 332.44052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(N(C2=CC=CC=C21)CC[NH+]3CCCCC3)N

Isomeric SMILES

CCOC(=O)C[N+]1=C(N(C2=CC=CC=C21)CC[NH+]3CCCCC3)N

InChI

InChI=1S/C18H26N4O2/c1-2-24-17(23)14-22-16-9-5-4-8-15(16)21(18(22)19)13-12-20-10-6-3-7-11-20/h4-5,8-9,19H,2-3,6-7,10-14H2,1H3/p+2