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

Systemtic Name: (2S)-N-(3,4-dimethoxyphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(3,4-dimethoxyphenyl)-2-[4-(2-furylmethyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(3,4-dimethoxyphenyl)-2-[4-(2-furanylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(3,4-dimethoxyphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(3,4-dimethoxyphenyl)-2-[4-(2-furfuryl)piperazin-1-ium-1-yl]propionamide Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4/c1-15(20(24)21-16-6-7-18(25-2)19(13-16)26-3)23-10-8-22(9-11-23)14-17-5-4-12-27-17/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,21,24)/p+1/t15-/m0/s1