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

Systemtic Name: (2S)-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-piperazin-4-ium-1-yl-propan-1-one Openeye Name: (2S)-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-piperazin-4-ium-1-yl-propan-1-one CAS Name: (2S)-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(1-piperazin-4-iumyl)-1-propanone IUPAC Name: (2S)-1-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-piperazin-4-ium-1-ylpropan-1-one Traditional Name: (2S)-1-[(2S)-2-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:

CC1CCC2=CC=CC=C2N1C(=O)C(C)N3CC[NH2+]CC3

Isomeric SMILES

C[C@H]1CCC2=CC=CC=C2N1C(=O)[C@H](C)N3CC[NH2+]CC3

InChI

InChI=1S/C17H25N3O/c1-13-7-8-15-5-3-4-6-16(15)20(13)17(21)14(2)19-11-9-18-10-12-19/h3-6,13-14,18H,7-12H2,1-2H3/p+1/t13-,14-/m0/s1