N-[(2S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]-3-methyl-benzamide

Systemtic Name: N-[(2S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]-3-methyl-benzamide Openeye Name: N-[(1S)-2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-1-methyl-2-oxo-ethyl]-3-methyl-benzamide CAS Name: N-[(2S)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]-1-oxopropan-2-yl]-3-methylbenzamide IUPAC Name: N-[(2S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide Traditional Name: N-[(1S)-2-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]-2-keto-1-methyl-ethyl]-3-methyl-benzamide Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCC4

InChI

InChI=1S/C24H29N3O3/c1-17-4-3-5-21(14-17)23(28)25-18(2)24(29)27-11-9-26(10-12-27)16-19-6-7-22-20(15-19)8-13-30-22/h3-7,14-15,18H,8-13,16H2,1-2H3,(H,25,28)/p+1/t18-/m0/s1