N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-2-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-[(2-amino-2-oxoethyl)thio]phenyl]-2-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-[(2-amino-2-keto-ethyl)thio]phenyl]-2-[4-(2-keto-2-piperidino-ethyl)piperazin-1-ium-1-yl]acetamide Formula: C21H32N5O3S+ MolecularWeight: 434.57548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CN2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SCC(=O)N

Isomeric SMILES

C1CCN(CC1)C(=O)CN2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C21H31N5O3S/c22-19(27)16-30-18-7-3-2-6-17(18)23-20(28)14-24-10-12-25(13-11-24)15-21(29)26-8-4-1-5-9-26/h2-3,6-7H,1,4-5,8-16H2,(H2,22,27)(H,23,28)/p+1