[4-(naphthalen-1-ylmethyl)-1,4-diazepan-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-(naphthalen-1-ylmethyl)-1,4-diazepan-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(1-naphthylmethyl)-1,4-diazepan-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-(1-naphthalenylmethyl)-1,4-diazepan-4-ium-1-yl]-thiophen-2-ylmethanone IUPAC Name: [4-(naphthalen-1-ylmethyl)-1,4-diazepan-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(1-naphthylmethyl)-1,4-diazepan-4-ium-1-yl]-(2-thienyl)methanone Formula: C21H23N2OS+ MolecularWeight: 351.48512

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)C(=O)C2=CC=CS2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1C[NH+](CCN(C1)C(=O)C2=CC=CS2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H22N2OS/c24-21(20-10-4-15-25-20)23-12-5-11-22(13-14-23)16-18-8-3-7-17-6-1-2-9-19(17)18/h1-4,6-10,15H,5,11-14,16H2/p+1