ethyl 2-oxidanylidene-2-[[1-(1-pyridin-4-ylpiperidin-4-yl)benzimidazol-1-ium-1-yl]methylamino]ethanoate

Systemtic Name: ethyl 2-oxidanylidene-2-[[1-(1-pyridin-4-ylpiperidin-4-yl)benzimidazol-1-ium-1-yl]methylamino]ethanoate Openeye Name: ethyl 2-oxo-2-[[1-[1-(4-pyridyl)-4-piperidyl]benzimidazol-1-ium-1-yl]methylamino]acetate CAS Name: 2-oxo-2-[[1-(1-pyridin-4-yl-4-piperidinyl)-1-benzimidazol-1-iumyl]methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-oxo-2-[[1-(1-pyridin-4-ylpiperidin-4-yl)benzimidazol-1-ium-1-yl]methylamino]acetate Traditional Name: 2-keto-2-[[1-[1-(4-pyridyl)-4-piperidyl]benzimidazol-1-ium-1-yl]methylamino]acetic acid ethyl ester Formula: C22H26N5O3+ MolecularWeight: 408.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)NC[N+]1(C=NC2=CC=CC=C21)C3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

CCOC(=O)C(=O)NC[N+]1(C=NC2=CC=CC=C21)C3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C22H25N5O3/c1-2-30-22(29)21(28)25-16-27(15-24-19-5-3-4-6-20(19)27)18-9-13-26(14-10-18)17-7-11-23-12-8-17/h3-8,11-12,15,18H,2,9-10,13-14,16H2,1H3/p+1