2-azanyl-2-methyl-N-[1-[1-methyl-2-(2-oxidanylideneoxolan-3-yl)sulfanyl-1,2,3,4-tetrazol-1-ium-5-yl]-2-phenylmethoxy-ethyl]propanamide

Systemtic Name: 2-azanyl-2-methyl-N-[1-[1-methyl-2-(2-oxidanylideneoxolan-3-yl)sulfanyl-1,2,3,4-tetrazol-1-ium-5-yl]-2-phenylmethoxy-ethyl]propanamide Openeye Name: 2-amino-N-[2-benzyloxy-1-[1-methyl-2-(2-oxotetrahydrofuran-3-yl)sulfanyl-tetrazol-1-ium-5-yl]ethyl]-2-methyl-propanamide CAS Name: 2-amino-2-methyl-N-[1-[1-methyl-2-[(2-oxo-3-oxolanyl)thio]-5-tetrazol-1-iumyl]-2-phenylmethoxyethyl]propanamide IUPAC Name: 2-amino-2-methyl-N-[1-[1-methyl-2-(2-oxooxolan-3-yl)sulfanyltetrazol-1-ium-5-yl]-2-phenylmethoxyethyl]propanamide Traditional Name: 2-amino-N-[2-benzoxy-1-[2-[(2-ketotetrahydrofuran-3-yl)thio]-1-methyl-tetrazol-1-ium-5-yl]ethyl]-2-methyl-propionamide Formula: C19H27N6O4S+ MolecularWeight: 435.52048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(COCC1=CC=CC=C1)C2=[N+](N(N=N2)SC3CCOC3=O)C)N

Isomeric SMILES

CC(C)(C(=O)NC(COCC1=CC=CC=C1)C2=[N+](N(N=N2)SC3CCOC3=O)C)N

InChI

InChI=1S/C19H26N6O4S/c1-19(2,20)18(27)21-14(12-28-11-13-7-5-4-6-8-13)16-22-23-25(24(16)3)30-15-9-10-29-17(15)26/h4-8,14-15H,9-12,20H2,1-3H3/p+1