N-(3-azanyl-1H-isoindol-2-ium-2-yl)-4-butyl-cyclohexane-1-carboxamide

Systemtic Name: N-(3-azanyl-1H-isoindol-2-ium-2-yl)-4-butyl-cyclohexane-1-carboxamide Openeye Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-4-butyl-cyclohexanecarboxamide CAS Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-4-butyl-1-cyclohexanecarboxamide IUPAC Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-4-butylcyclohexane-1-carboxamide Traditional Name: N-(3-amino-1H-isoindol-2-ium-2-yl)-4-butyl-cyclohexanecarboxamide Formula: C19H28N3O+ MolecularWeight: 314.44512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)N[N+]2=C(C3=CC=CC=C3C2)N

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)N[N+]2=C(C3=CC=CC=C3C2)N

InChI

InChI=1S/C19H27N3O/c1-2-3-6-14-9-11-15(12-10-14)19(23)21-22-13-16-7-4-5-8-17(16)18(22)20/h4-5,7-8,14-15,20H,2-3,6,9-13H2,1H3,(H,21,23)/p+1