2-[[(2R)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide

Systemtic Name: 2-[[(2R)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Openeye Name: 2-[[(2R)-2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide CAS Name: 2-[[(2R)-2-[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[(2R)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[(2R)-2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]propanoyl]amino]thiophene-3-carboxamide Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)[NH+]2CCN(CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C(=O)N)[NH+]2CCN(CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C23H26N4O2S/c1-16(22(29)25-23-20(21(24)28)9-14-30-23)27-12-10-26(11-13-27)15-18-7-4-6-17-5-2-3-8-19(17)18/h2-9,14,16H,10-13,15H2,1H3,(H2,24,28)(H,25,29)/p+1/t16-/m1/s1