[(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]-(2-morpholin-4-ium-4-ylethyl)azanium

Systemtic Name: [(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: [(3S)-3-(4-isopropoxyphenyl)-4-methyl-pentyl]-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: [(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: [(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: [(3S)-3-(4-isopropoxyphenyl)-4-methyl-pentyl]-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C21H38N2O2+2 MolecularWeight: 350.53862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC[NH2+]CC[NH+]1CCOCC1)C2=CC=C(C=C2)OC(C)C

Isomeric SMILES

CC(C)[C@H](CC[NH2+]CC[NH+]1CCOCC1)C2=CC=C(C=C2)OC(C)C

InChI

InChI=1S/C21H36N2O2/c1-17(2)21(19-5-7-20(8-6-19)25-18(3)4)9-10-22-11-12-23-13-15-24-16-14-23/h5-8,17-18,21-22H,9-16H2,1-4H3/p+2/t21-/m0/s1