N-[3-(azocan-1-ium-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide

Systemtic Name: N-[3-(azocan-1-ium-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]ethanamide Openeye Name: N-[3-(azocan-1-ium-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide CAS Name: N-[3-(1-azocan-1-iumylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide IUPAC Name: N-[3-(azocan-1-ium-1-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]acetamide Traditional Name: N-[3-(azocan-1-ium-1-ylmethyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]acetamide Formula: C18H29N2OS+ MolecularWeight: 321.50066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=C(S1)CCCC2)C[NH+]3CCCCCCC3

Isomeric SMILES

CC(=O)NC1=C(C2=C(S1)CCCC2)C[NH+]3CCCCCCC3

InChI

InChI=1S/C18H28N2OS/c1-14(21)19-18-16(15-9-5-6-10-17(15)22-18)13-20-11-7-3-2-4-8-12-20/h2-13H2,1H3,(H,19,21)/p+1