4-butoxy-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 4-butoxy-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 4-butoxy-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 4-butoxy-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 4-butoxy-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 4-butoxy-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide Formula: C21H29N2O2S+ MolecularWeight: 373.53216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(C2=CC=CS2)[NH+]3CCCC3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCCC3

InChI

InChI=1S/C21H28N2O2S/c1-2-3-14-25-18-10-8-17(9-11-18)21(24)22-16-19(20-7-6-15-26-20)23-12-4-5-13-23/h6-11,15,19H,2-5,12-14,16H2,1H3,(H,22,24)/p+1/t19-/m0/s1