(2S)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)propanamide

Systemtic Name: (2S)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)propanamide Openeye Name: (2S)-2-[4-(2-furylmethyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)propanamide CAS Name: (2S)-2-[4-(2-furanylmethyl)-1-piperazin-1-iumyl]-N-(3-methoxyphenyl)propanamide IUPAC Name: (2S)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)propanamide Traditional Name: (2S)-2-[4-(2-furfuryl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)propionamide Formula: C19H26N3O3+ MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)OC)[NH+]2CCN(CC2)CC3=CC=CO3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)OC)[NH+]2CCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C19H25N3O3/c1-15(19(23)20-16-5-3-6-17(13-16)24-2)22-10-8-21(9-11-22)14-18-7-4-12-25-18/h3-7,12-13,15H,8-11,14H2,1-2H3,(H,20,23)/p+1/t15-/m0/s1