[1-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]piperidin-4-yl]-(2-oxidanyl-2-prop-2-enyl-pent-4-enyl)azanium

Systemtic Name: [1-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]piperidin-4-yl]-(2-oxidanyl-2-prop-2-enyl-pent-4-enyl)azanium Openeye Name: (2-allyl-2-hydroxy-pent-4-enyl)-[1-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]-4-piperidyl]ammonium CAS Name: (2-hydroxy-2-prop-2-enylpent-4-enyl)-[1-[4-[[2-(4-morpholin-4-iumyl)ethylamino]-oxomethyl]phenyl]-4-piperidinyl]ammonium IUPAC Name: (2-hydroxy-2-prop-2-enylpent-4-enyl)-[1-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]piperidin-4-yl]azanium Traditional Name: (2-allyl-2-hydroxy-pent-4-enyl)-[1-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]-4-piperidyl]ammonium Formula: C26H42N4O3+2 MolecularWeight: 458.63668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC=C)(C[NH2+]C1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC[NH+]3CCOCC3)O

Isomeric SMILES

C=CCC(CC=C)(C[NH2+]C1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC[NH+]3CCOCC3)O

InChI

InChI=1S/C26H40N4O3/c1-3-11-26(32,12-4-2)21-28-23-9-14-30(15-10-23)24-7-5-22(6-8-24)25(31)27-13-16-29-17-19-33-20-18-29/h3-8,23,28,32H,1-2,9-21H2,(H,27,31)/p+2