N-[(1R,2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]-2-methoxy-benzamide

Systemtic Name: N-[(1R,2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]-2-methoxy-benzamide Openeye Name: N-[(1S,2R)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]-2-methoxy-benzamide CAS Name: N-[(1R,2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-thiophen-2-ylpropan-2-yl]-2-methoxybenzamide IUPAC Name: N-[(1R,2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-thiophen-2-ylpropan-2-yl]-2-methoxybenzamide Traditional Name: N-[(1S,2R)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-(2-thienyl)ethyl]-2-methoxy-benzamide Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(C2=CC=CS2)C(C)NC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@@H](C2=CC=CS2)[C@H](C)NC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C21H29N3O2S/c1-4-23-11-13-24(14-12-23)20(19-10-7-15-27-19)16(2)22-21(25)17-8-5-6-9-18(17)26-3/h5-10,15-16,20H,4,11-14H2,1-3H3,(H,22,25)/p+1/t16-,20+/m0/s1