(2S)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-piperazin-4-ium-1-yl-propan-1-one

Systemtic Name: (2S)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-piperazin-4-ium-1-yl-propan-1-one Openeye Name: (2S)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-piperazin-4-ium-1-yl-propan-1-one CAS Name: (2S)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-piperazin-4-ium-1-ylpropan-1-one Traditional Name: (2S)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-piperazin-4-ium-1-yl-propan-1-one Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CCC2)C(=O)C(C)N3CC[NH2+]CC3

Isomeric SMILES

CC1=CC2=C(C=C1)N(CCC2)C(=O)[C@H](C)N3CC[NH2+]CC3

InChI

InChI=1S/C17H25N3O/c1-13-5-6-16-15(12-13)4-3-9-20(16)17(21)14(2)19-10-7-18-8-11-19/h5-6,12,14,18H,3-4,7-11H2,1-2H3/p+1/t14-/m0/s1