(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-propanoyl-pyrrolidine-2-carboxamide hydrochloride

Systemtic Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-propanoyl-pyrrolidine-2-carboxamide hydrochloride Openeye Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-propanoyl-pyrrolidine-2-carboxamide hydrochloride CAS Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(1-oxopropyl)-2-pyrrolidinecarboxamide hydrochloride IUPAC Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-propanoylpyrrolidine-2-carboxamide hydrochloride Traditional Name: (2S)-N-(4-amidinobenzyl)-1-propionyl-pyrrolidine-2-carboxamide hydrochloride Formula: C16H23ClN4O2 MolecularWeight: 338.83242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCCC1C(=O)NCC2=CC=C(C=C2)C(=N)N.Cl

Isomeric SMILES

CCC(=O)N1CCC[C@H]1C(=O)NCC2=CC=C(C=C2)C(=N)N.Cl

InChI

InChI=1S/C16H22N4O2.ClH/c1-2-14(21)20-9-3-4-13(20)16(22)19-10-11-5-7-12(8-6-11)15(17)18;/h5-8,13H,2-4,9-10H2,1H3,(H3,17,18)(H,19,22);1H/t13-;/m0./s1