N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-[(2R)-2-ethyl-3-oxidanylidene-piperazin-1-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-[(2R)-2-ethyl-3-oxidanylidene-piperazin-1-yl]pyridin-1-ium-3-carboxamide Openeye Name: N-[3-(3,5-dimethylisoxazol-4-yl)propyl]-6-[(2R)-2-ethyl-3-oxo-piperazin-1-yl]pyridin-1-ium-3-carboxamide CAS Name: N-[3-(3,5-dimethyl-4-isoxazolyl)propyl]-6-[(2R)-2-ethyl-3-oxo-1-piperazinyl]-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-[(2R)-2-ethyl-3-oxopiperazin-1-yl]pyridin-1-ium-3-carboxamide Traditional Name: N-[3-(3,5-dimethylisoxazol-4-yl)propyl]-6-[(2R)-2-ethyl-3-keto-piperazino]pyridin-1-ium-3-carboxamide Formula: C20H28N5O3+ MolecularWeight: 386.46802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)NCCN1C2=[NH+]C=C(C=C2)C(=O)NCCCC3=C(ON=C3C)C

Isomeric SMILES

CC[C@@H]1C(=O)NCCN1C2=[NH+]C=C(C=C2)C(=O)NCCCC3=C(ON=C3C)C

InChI

InChI=1S/C20H27N5O3/c1-4-17-20(27)22-10-11-25(17)18-8-7-15(12-23-18)19(26)21-9-5-6-16-13(2)24-28-14(16)3/h7-8,12,17H,4-6,9-11H2,1-3H3,(H,21,26)(H,22,27)/p+1/t17-/m1/s1