8-nitro-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]isoquinolin-5-amine

Systemtic Name: 8-nitro-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]isoquinolin-5-amine Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-8-nitro-isoquinolin-5-amine CAS Name: 8-nitro-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-5-isoquinolinamine IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-8-nitroisoquinolin-5-amine Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-(8-nitro-5-isoquinolyl)amine Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2/c26-25(27)21-7-6-20(18-8-11-22-14-19(18)21)23-17-9-12-24(13-10-17)15-16-4-2-1-3-5-16/h1-8,11,14,17,23H,9-10,12-13,15H2/p+1