2-[2-(azepan-1-ium-1-ylmethyl)pyrrol-1-yl]-1,3-thiazole

Systemtic Name: 2-[2-(azepan-1-ium-1-ylmethyl)pyrrol-1-yl]-1,3-thiazole Openeye Name: 2-[2-(azepan-1-ium-1-ylmethyl)pyrrol-1-yl]thiazole CAS Name: 2-[2-(1-azepan-1-iumylmethyl)-1-pyrrolyl]thiazole IUPAC Name: 2-[2-(azepan-1-ium-1-ylmethyl)pyrrol-1-yl]-1,3-thiazole Traditional Name: 2-[2-(azepan-1-ium-1-ylmethyl)pyrrol-1-yl]thiazole Formula: C14H20N3S+ MolecularWeight: 262.3937

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=CN2C3=NC=CS3

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=CN2C3=NC=CS3

InChI

InChI=1S/C14H19N3S/c1-2-4-9-16(8-3-1)12-13-6-5-10-17(13)14-15-7-11-18-14/h5-7,10-11H,1-4,8-9,12H2/p+1