3-[4-(phenylmethyl)piperazin-4-ium-1-yl]-N-(1,3-thiazol-2-yl)propanamide

Systemtic Name: 3-[4-(phenylmethyl)piperazin-4-ium-1-yl]-N-(1,3-thiazol-2-yl)propanamide Openeye Name: 3-(4-benzylpiperazin-4-ium-1-yl)-N-thiazol-2-yl-propanamide CAS Name: 3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-N-(2-thiazolyl)propanamide IUPAC Name: 3-(4-benzylpiperazin-4-ium-1-yl)-N-(1,3-thiazol-2-yl)propanamide Traditional Name: 3-(4-benzylpiperazin-4-ium-1-yl)-N-thiazol-2-yl-propionamide Formula: C17H23N4OS+ MolecularWeight: 331.45572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CCC(=O)NC3=NC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)CCC(=O)NC3=NC=CS3

InChI

InChI=1S/C17H22N4OS/c22-16(19-17-18-7-13-23-17)6-8-20-9-11-21(12-10-20)14-15-4-2-1-3-5-15/h1-5,7,13H,6,8-12,14H2,(H,18,19,22)/p+1