4-[1-[2,5-bis(azanyl)pentanoyl]-4-oxidanyl-piperidin-2-yl]carbonylbenzenecarboximidamide

Systemtic Name: 4-[1-[2,5-bis(azanyl)pentanoyl]-4-oxidanyl-piperidin-2-yl]carbonylbenzenecarboximidamide Openeye Name: 4-[1-(2,5-diaminopentanoyl)-4-hydroxy-piperidine-2-carbonyl]benzamidine CAS Name: 4-[[1-(2,5-diamino-1-oxopentyl)-4-hydroxy-2-piperidinyl]-oxomethyl]benzenecarboximidamide IUPAC Name: 4-[1-(2,5-diaminopentanoyl)-4-hydroxypiperidine-2-carbonyl]benzenecarboximidamide Traditional Name: 4-[1-(2,5-diaminopentanoyl)-4-hydroxy-pipecoloyl]benzamidine Formula: C18H27N5O3 MolecularWeight: 361.43868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1O)C(=O)C2=CC=C(C=C2)C(=N)N)C(=O)C(CCCN)N

Isomeric SMILES

C1CN(C(CC1O)C(=O)C2=CC=C(C=C2)C(=N)N)C(=O)C(CCCN)N

InChI

InChI=1S/C18H27N5O3/c19-8-1-2-14(20)18(26)23-9-7-13(24)10-15(23)16(25)11-3-5-12(6-4-11)17(21)22/h3-6,13-15,24H,1-2,7-10,19-20H2,(H3,21,22)