(2S)-2-[(4-hydroxyphenyl)-methyl-amino]-1-piperazin-4-ium-1-yl-propan-1-one

Systemtic Name: (2S)-2-[(4-hydroxyphenyl)-methyl-amino]-1-piperazin-4-ium-1-yl-propan-1-one Openeye Name: (2S)-2-(4-hydroxy-N-methyl-anilino)-1-piperazin-4-ium-1-yl-propan-1-one CAS Name: (2S)-2-(4-hydroxy-N-methylanilino)-1-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-2-(4-hydroxy-N-methylanilino)-1-piperazin-4-ium-1-ylpropan-1-one Traditional Name: (2S)-2-(4-hydroxy-N-methyl-anilino)-1-piperazin-4-ium-1-yl-propan-1-one Formula: C14H22N3O2+ MolecularWeight: 264.34338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH2+]CC1)N(C)C2=CC=C(C=C2)O

Isomeric SMILES

C[C@@H](C(=O)N1CC[NH2+]CC1)N(C)C2=CC=C(C=C2)O

InChI

InChI=1S/C14H21N3O2/c1-11(14(19)17-9-7-15-8-10-17)16(2)12-3-5-13(18)6-4-12/h3-6,11,15,18H,7-10H2,1-2H3/p+1/t11-/m0/s1