N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3S)-2-oxidanylideneazepan-3-yl]amino]pyridin-1-ium-3-carboxamide

Systemtic Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3S)-2-oxidanylideneazepan-3-yl]amino]pyridin-1-ium-3-carboxamide Openeye Name: N-[(4-ethylthiazol-2-yl)methyl]-6-[[(3S)-2-oxoazepan-3-yl]amino]pyridin-1-ium-3-carboxamide CAS Name: N-[(4-ethyl-2-thiazolyl)methyl]-6-[[(3S)-2-oxo-3-azepanyl]amino]-3-pyridin-1-iumcarboxamide IUPAC Name: N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[[(3S)-2-oxoazepan-3-yl]amino]pyridin-1-ium-3-carboxamide Traditional Name: N-[(4-ethylthiazol-2-yl)methyl]-6-[[(3S)-2-ketoazepan-3-yl]amino]pyridin-1-ium-3-carboxamide Formula: C18H24N5O2S+ MolecularWeight: 374.48046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CSC(=N1)CNC(=O)C2=C[NH+]=C(C=C2)NC3CCCCNC3=O

Isomeric SMILES

CCC1=CSC(=N1)CNC(=O)C2=C[NH+]=C(C=C2)N[C@H]3CCCCNC3=O

InChI

InChI=1S/C18H23N5O2S/c1-2-13-11-26-16(22-13)10-21-17(24)12-6-7-15(20-9-12)23-14-5-3-4-8-19-18(14)25/h6-7,9,11,14H,2-5,8,10H2,1H3,(H,19,25)(H,20,23)(H,21,24)/p+1/t14-/m0/s1