3-benzamido-2-[1-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-ium-1-yl]propanoic acid

Systemtic Name: 3-benzamido-2-[1-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-ium-1-yl]propanoic acid Openeye Name: 3-benzamido-2-[1-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-ium-1-yl]propanoic acid CAS Name: 3-benzamido-2-[1-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1-piperidin-1-iumyl]propanoic acid IUPAC Name: 3-benzamido-2-[1-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-ium-1-yl]propanoic acid Traditional Name: 3-benzamido-2-[1-methyl-2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-ium-1-yl]propionic acid Formula: C20H30N5O3+ MolecularWeight: 388.4839

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1NC2=NCCCN2)C(CNC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C[N+]1(CCCCC1NC2=NCCCN2)C(CNC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H29N5O3/c1-25(13-6-5-10-17(25)24-20-21-11-7-12-22-20)16(19(27)28)14-23-18(26)15-8-3-2-4-9-15/h2-4,8-9,16-17H,5-7,10-14H2,1H3,(H3-,21,22,23,24,26,27,28)/p+1