4-(4-carbamimidoylphenyl)-1-(carboxymethyl)-1-piperazin-1-yl-piperidin-1-ium-3-carboxylic acid

Systemtic Name: 4-(4-carbamimidoylphenyl)-1-(carboxymethyl)-1-piperazin-1-yl-piperidin-1-ium-3-carboxylic acid Openeye Name: 4-(4-carbamimidoylphenyl)-1-(carboxymethyl)-1-piperazin-1-yl-piperidin-1-ium-3-carboxylic acid CAS Name: 4-(4-carbamimidoylphenyl)-1-(carboxymethyl)-1-(1-piperazinyl)-3-piperidin-1-iumcarboxylic acid IUPAC Name: 4-(4-carbamimidoylphenyl)-1-(carboxymethyl)-1-piperazin-1-ylpiperidin-1-ium-3-carboxylic acid Traditional Name: 4-(4-amidinophenyl)-1-(carboxymethyl)-1-piperazino-piperidin-1-ium-3-carboxylic acid Formula: C19H28N5O4+ MolecularWeight: 390.45672

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CC(C1C2=CC=C(C=C2)C(=N)N)C(=O)O)(CC(=O)O)N3CCNCC3

Isomeric SMILES

C1C[N+](CC(C1C2=CC=C(C=C2)C(=N)N)C(=O)O)(CC(=O)O)N3CCNCC3

InChI

InChI=1S/C19H27N5O4/c20-18(21)14-3-1-13(2-4-14)15-5-10-24(12-17(25)26,11-16(15)19(27)28)23-8-6-22-7-9-23/h1-4,15-16,22H,5-12H2,(H4-,20,21,25,26,27,28)/p+1