N-[(2S)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-methyl-2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-1-oxopropan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]ethyl]-2-furamide Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC3=CC=CC=C32)NC(=O)C4=CC=CO4

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC3=CC=CC=C32)NC(=O)C4=CC=CO4

InChI

InChI=1S/C23H25N3O3/c1-17(24-22(27)21-10-5-15-29-21)23(28)26-13-11-25(12-14-26)16-19-8-4-7-18-6-2-3-9-20(18)19/h2-10,15,17H,11-14,16H2,1H3,(H,24,27)/p+1/t17-/m0/s1