(2S)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide

Systemtic Name: (2S)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide Openeye Name: (2S)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-[2-(2-thienyl)ethyl]propanamide CAS Name: (2S)-2-[4-(2-phenoxyethyl)-1-piperazin-1-iumyl]-N-(2-thiophen-2-ylethyl)propanamide IUPAC Name: (2S)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-(2-thiophen-2-ylethyl)propanamide Traditional Name: (2S)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]-N-[2-(2-thienyl)ethyl]propionamide Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CS1)[NH+]2CCN(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CC=CS1)[NH+]2CCN(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O2S/c1-18(21(25)22-10-9-20-8-5-17-27-20)24-13-11-23(12-14-24)15-16-26-19-6-3-2-4-7-19/h2-8,17-18H,9-16H2,1H3,(H,22,25)/p+1/t18-/m0/s1