4-(3-methylbutoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 4-(3-methylbutoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 4-isopentyloxy-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 4-(3-methylbutoxy)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 4-(3-methylbutoxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 4-isoamoxy-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide Formula: C22H31N2O3S+ MolecularWeight: 403.55814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NCC(C2=CC=CS2)[NH+]3CCOCC3

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCOCC3

InChI

InChI=1S/C22H30N2O3S/c1-17(2)9-12-27-19-7-5-18(6-8-19)22(25)23-16-20(21-4-3-15-28-21)24-10-13-26-14-11-24/h3-8,15,17,20H,9-14,16H2,1-2H3,(H,23,25)/p+1/t20-/m0/s1