[1-carbamimidoyl-4-carboxy-4-[2-methyl-1-(3-phenylpropanoylamino)propyl]piperidin-2-yl]-oxidanyl-oxidanylidene-phosphanium

Systemtic Name: [1-carbamimidoyl-4-carboxy-4-[2-methyl-1-(3-phenylpropanoylamino)propyl]piperidin-2-yl]-oxidanyl-oxidanylidene-phosphanium Openeye Name: [1-carbamimidoyl-4-carboxy-4-[2-methyl-1-(3-phenylpropanoylamino)propyl]-2-piperidyl]-hydroxy-oxo-phosphonium CAS Name: [1-carbamimidoyl-4-carboxy-4-[2-methyl-1-[(1-oxo-3-phenylpropyl)amino]propyl]-2-piperidinyl]-hydroxy-oxophosphonium IUPAC Name: [1-carbamimidoyl-4-carboxy-4-[2-methyl-1-(3-phenylpropanoylamino)propyl]piperidin-2-yl]-hydroxy-oxophosphanium Traditional Name: [1-amidino-4-carboxy-4-[1-(hydrocinnamoylamino)-2-methyl-propyl]-2-piperidyl]-hydroxy-keto-phosphonium Formula: C20H30N4O5P+ MolecularWeight: 437.449761

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1(CCN(C(C1)[P+](=O)O)C(=N)N)C(=O)O)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C1(CCN(C(C1)[P+](=O)O)C(=N)N)C(=O)O)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C20H29N4O5P/c1-13(2)17(23-15(25)9-8-14-6-4-3-5-7-14)20(18(26)27)10-11-24(19(21)22)16(12-20)30(28)29/h3-7,13,16-17H,8-12H2,1-2H3,(H5-,21,22,23,25,26,27,28,29)/p+1