[1-(2-morpholin-4-ium-4-ylethyl)pyrrol-2-yl]methyl-[(2R)-4-phenylbutan-2-yl]azanium

Systemtic Name: [1-(2-morpholin-4-ium-4-ylethyl)pyrrol-2-yl]methyl-[(2R)-4-phenylbutan-2-yl]azanium Openeye Name: [(1R)-1-methyl-3-phenyl-propyl]-[[1-(2-morpholin-4-ium-4-ylethyl)pyrrol-2-yl]methyl]ammonium CAS Name: [1-[2-(4-morpholin-4-iumyl)ethyl]-2-pyrrolyl]methyl-[(2R)-4-phenylbutan-2-yl]ammonium IUPAC Name: [1-(2-morpholin-4-ium-4-ylethyl)pyrrol-2-yl]methyl-[(2R)-4-phenylbutan-2-yl]azanium Traditional Name: [(1R)-1-methyl-3-phenyl-propyl]-[[1-(2-morpholin-4-ium-4-ylethyl)pyrrol-2-yl]methyl]ammonium Formula: C21H33N3O+2 MolecularWeight: 343.50622

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)[NH2+]CC2=CC=CN2CC[NH+]3CCOCC3

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)[NH2+]CC2=CC=CN2CC[NH+]3CCOCC3

InChI

InChI=1S/C21H31N3O/c1-19(9-10-20-6-3-2-4-7-20)22-18-21-8-5-11-24(21)13-12-23-14-16-25-17-15-23/h2-8,11,19,22H,9-10,12-18H2,1H3/p+2/t19-/m1/s1