butyl 2-[2-azanyl-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]ethanoate

Systemtic Name: butyl 2-[2-azanyl-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]ethanoate Openeye Name: butyl 2-[2-amino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]acetate CAS Name: 2-[2-amino-3-[2-(4-morpholin-4-iumyl)ethyl]-1-benzimidazol-1-iumyl]acetic acid butyl ester IUPAC Name: butyl 2-[2-amino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]acetate Traditional Name: 2-[2-amino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-ium-1-yl]acetic acid butyl ester Formula: C19H30N4O3+2 MolecularWeight: 362.4665

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C[N+]1=C(N(C2=CC=CC=C21)CC[NH+]3CCOCC3)N

Isomeric SMILES

CCCCOC(=O)C[N+]1=C(N(C2=CC=CC=C21)CC[NH+]3CCOCC3)N

InChI

InChI=1S/C19H28N4O3/c1-2-3-12-26-18(24)15-23-17-7-5-4-6-16(17)22(19(23)20)9-8-21-10-13-25-14-11-21/h4-7,20H,2-3,8-15H2,1H3/p+2