2-methoxy-N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]benzamide

Systemtic Name: 2-methoxy-N-[(2S)-3-methyl-1-oxidanylidene-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]benzamide Openeye Name: 2-methoxy-N-[(1S)-2-methyl-1-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]propyl]benzamide CAS Name: 2-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]butan-2-yl]benzamide IUPAC Name: 2-methoxy-N-[(2S)-3-methyl-1-oxo-1-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]butan-2-yl]benzamide Traditional Name: 2-methoxy-N-[(1S)-2-methyl-1-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]propyl]benzamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC=CS2)NC(=O)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=CS2)NC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C22H29N3O3S/c1-16(2)20(23-21(26)18-8-4-5-9-19(18)28-3)22(27)25-12-10-24(11-13-25)15-17-7-6-14-29-17/h4-9,14,16,20H,10-13,15H2,1-3H3,(H,23,26)/p+1/t20-/m0/s1