N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-4-methyl-benzamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-4-methyl-benzamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-4-methyl-benzamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-4-methylbenzamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-4-methylbenzamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-4-methyl-benzamide Formula: C20H27N2OS+ MolecularWeight: 343.50618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC(C2=CC=CS2)[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCCCCC3

InChI

InChI=1S/C20H26N2OS/c1-16-8-10-17(11-9-16)20(23)21-15-18(19-7-6-14-24-19)22-12-4-2-3-5-13-22/h6-11,14,18H,2-5,12-13,15H2,1H3,(H,21,23)/p+1/t18-/m0/s1