N-[4-(phenylmethyl)-2,3,6,7-tetrahydro-1,4-thiazepin-4-ium-6-yl]ethanamide

Systemtic Name: N-[4-(phenylmethyl)-2,3,6,7-tetrahydro-1,4-thiazepin-4-ium-6-yl]ethanamide Openeye Name: N-(4-benzyl-2,3,6,7-tetrahydro-1,4-thiazepin-4-ium-6-yl)acetamide CAS Name: N-[4-(phenylmethyl)-2,3,6,7-tetrahydro-1,4-thiazepin-4-ium-6-yl]acetamide IUPAC Name: N-(4-benzyl-2,3,6,7-tetrahydro-1,4-thiazepin-4-ium-6-yl)acetamide Traditional Name: N-(4-benzyl-2,3,6,7-tetrahydro-1,4-thiazepin-4-ium-6-yl)acetamide Formula: C14H19N2OS+ MolecularWeight: 263.37846

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CSCC[N+](=C1)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1CSCC[N+](=C1)CC2=CC=CC=C2

InChI

InChI=1S/C14H18N2OS/c1-12(17)15-14-10-16(7-8-18-11-14)9-13-5-3-2-4-6-13/h2-6,10,14H,7-9,11H2,1H3/p+1