1-cyano-1-[[1-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-oxidanyl-ethyl]piperidin-4-yl]methyl]-2-prop-2-enyl-guanidine

Systemtic Name: 1-cyano-1-[[1-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-oxidanyl-ethyl]piperidin-4-yl]methyl]-2-prop-2-enyl-guanidine Openeye Name: 2-allyl-1-cyano-1-[[1-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxy-ethyl]-4-piperidyl]methyl]guanidine CAS Name: 1-cyano-1-[[1-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]-4-piperidinyl]methyl]-2-prop-2-enylguanidine IUPAC Name: 1-cyano-1-[[1-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxyethyl]piperidin-4-yl]methyl]-2-prop-2-enylguanidine Traditional Name: 2-allyl-1-cyano-1-[[1-[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-hydroxy-ethyl]-4-piperidyl]methyl]guanidine Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(N)N(CC1CCN(CC1)C(CO)C2COC3=CC=CC=C3O2)C#N

Isomeric SMILES

C=CCN=C(N)N(CC1CCN(CC1)C(CO)C2COC3=CC=CC=C3O2)C#N

InChI

InChI=1S/C21H29N5O3/c1-2-9-24-21(23)26(15-22)12-16-7-10-25(11-8-16)17(13-27)20-14-28-18-5-3-4-6-19(18)29-20/h2-6,16-17,20,27H,1,7-14H2,(H2,23,24)