5-azanyl-N-[[(3R,4R)-1-(2-azanylethyl)-3-oxidanyl-piperidin-4-yl]methyl]-6-chloranyl-3,4-dihydro-2H-chromene-8-carboxamide

Systemtic Name: 5-azanyl-N-[[(3R,4R)-1-(2-azanylethyl)-3-oxidanyl-piperidin-4-yl]methyl]-6-chloranyl-3,4-dihydro-2H-chromene-8-carboxamide Openeye Name: 5-amino-N-[[(3R,4R)-1-(2-aminoethyl)-3-hydroxy-4-piperidyl]methyl]-6-chloro-chromane-8-carboxamide CAS Name: 5-amino-N-[[(3R,4R)-1-(2-aminoethyl)-3-hydroxy-4-piperidinyl]methyl]-6-chloro-3,4-dihydro-2H-1-benzopyran-8-carboxamide IUPAC Name: 5-amino-N-[[(3R,4R)-1-(2-aminoethyl)-3-hydroxypiperidin-4-yl]methyl]-6-chloro-3,4-dihydro-2H-chromene-8-carboxamide Traditional Name: 5-amino-N-[[(3R,4R)-1-(2-aminoethyl)-3-hydroxy-4-piperidyl]methyl]-6-chloro-chroman-8-carboxamide Formula: C18H27ClN4O3 MolecularWeight: 382.88498

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=CC(=C2N)Cl)C(=O)NCC3CCN(CC3O)CCN)OC1

Isomeric SMILES

C1CC2=C(C(=CC(=C2N)Cl)C(=O)NC[C@H]3CCN(C[C@@H]3O)CCN)OC1

InChI

InChI=1S/C18H27ClN4O3/c19-14-8-13(17-12(16(14)21)2-1-7-26-17)18(25)22-9-11-3-5-23(6-4-20)10-15(11)24/h8,11,15,24H,1-7,9-10,20-21H2,(H,22,25)/t11-,15+/m1/s1