N-[(2S)-butan-2-yl]-7-chloranyl-quinolin-1-ium-4-amine

Systemtic Name: N-[(2S)-butan-2-yl]-7-chloranyl-quinolin-1-ium-4-amine Openeye Name: 7-chloro-N-[(1S)-1-methylpropyl]quinolin-1-ium-4-amine CAS Name: N-[(2S)-butan-2-yl]-7-chloro-4-quinolin-1-iumamine IUPAC Name: N-[(2S)-butan-2-yl]-7-chloroquinolin-1-ium-4-amine Traditional Name: (7-chloroquinolin-1-ium-4-yl)-[(1S)-1-methylpropyl]amine Formula: C13H16ClN2+ MolecularWeight: 235.73254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C2C=CC(=CC2=[NH+]C=C1)Cl

Isomeric SMILES

CC[C@H](C)NC1=C2C=CC(=CC2=[NH+]C=C1)Cl

InChI

InChI=1S/C13H15ClN2/c1-3-9(2)16-12-6-7-15-13-8-10(14)4-5-11(12)13/h4-9H,3H2,1-2H3,(H,15,16)/p+1/t9-/m0/s1