4-[1-[2,6-bis(azanyl)hexanoyl]-4-oxidanyl-piperidin-2-yl]carbonylbenzenecarboximidamide

Systemtic Name: 4-[1-[2,6-bis(azanyl)hexanoyl]-4-oxidanyl-piperidin-2-yl]carbonylbenzenecarboximidamide Openeye Name: 4-[1-(2,6-diaminohexanoyl)-4-hydroxy-piperidine-2-carbonyl]benzamidine CAS Name: 4-[[1-(2,6-diamino-1-oxohexyl)-4-hydroxy-2-piperidinyl]-oxomethyl]benzenecarboximidamide IUPAC Name: 4-[1-(2,6-diaminohexanoyl)-4-hydroxypiperidine-2-carbonyl]benzenecarboximidamide Traditional Name: 4-[1-(2,6-diaminohexanoyl)-4-hydroxy-pipecoloyl]benzamidine Formula: C19H29N5O3 MolecularWeight: 375.46526

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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(CCCCN)N

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O3/c20-9-2-1-3-15(21)19(27)24-10-8-14(25)11-16(24)17(26)12-4-6-13(7-5-12)18(22)23/h4-7,14-16,25H,1-3,8-11,20-21H2,(H3,22,23)