(2S)-2-[(4-hydroxyphenyl)-methyl-amino]-3-methyl-1-piperazin-4-ium-1-yl-butan-1-one

Systemtic Name: (2S)-2-[(4-hydroxyphenyl)-methyl-amino]-3-methyl-1-piperazin-4-ium-1-yl-butan-1-one Openeye Name: (2S)-2-(4-hydroxy-N-methyl-anilino)-3-methyl-1-piperazin-4-ium-1-yl-butan-1-one CAS Name: (2S)-2-(4-hydroxy-N-methylanilino)-3-methyl-1-(1-piperazin-4-iumyl)-1-butanone IUPAC Name: (2S)-2-(4-hydroxy-N-methylanilino)-3-methyl-1-piperazin-4-ium-1-ylbutan-1-one Traditional Name: (2S)-2-(4-hydroxy-N-methyl-anilino)-3-methyl-1-piperazin-4-ium-1-yl-butan-1-one Formula: C16H26N3O2+ MolecularWeight: 292.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2/c1-12(2)15(16(21)19-10-8-17-9-11-19)18(3)13-4-6-14(20)7-5-13/h4-7,12,15,17,20H,8-11H2,1-3H3/p+1/t15-/m0/s1