5-[(3S)-3-methylpiperidin-1-yl]-8-nitro-isoquinoline

Systemtic Name: 5-[(3S)-3-methylpiperidin-1-yl]-8-nitro-isoquinoline Openeye Name: 5-[(3S)-3-methyl-1-piperidyl]-8-nitro-isoquinoline CAS Name: 5-[(3S)-3-methyl-1-piperidinyl]-8-nitroisoquinoline IUPAC Name: 5-[(3S)-3-methylpiperidin-1-yl]-8-nitroisoquinoline Traditional Name: 5-[(3S)-3-methylpiperidino]-8-nitro-isoquinoline Formula: C15H17N3O2 MolecularWeight: 271.31438

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O2/c1-11-3-2-8-17(10-11)14-4-5-15(18(19)20)13-9-16-7-6-12(13)14/h4-7,9,11H,2-3,8,10H2,1H3/t11-/m0/s1